#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bmo s ALA 3 N 0.00 3.23 0.95 4.31 0.00 -1.26 -5.04 121.76 123.94 3bmo s ALA 3 Ca 0.00 0.62 -0.12 0.00 0.00 0.00 0.00 51.96 52.46 3bmo s ALA 3 Cb 0.00 -3.22 0.16 0.00 0.00 0.00 0.00 23.12 20.05 3bmo s ALA 3 CO 0.00 0.06 1.11 -1.25 0.00 0.00 0.00 175.76 175.68 3bmo s PRO 4 N -1.93 0.83 0.03 0.00 0.04 -1.26 -4.76 135.00 127.95 3bmo s PRO 4 Ca 0.50 0.45 0.03 0.00 0.04 0.00 0.00 61.00 62.02 3bmo s PRO 4 Cb -0.22 -1.79 -0.02 0.00 0.04 0.00 0.00 34.50 32.51 3bmo s PRO 4 CO 0.28 -2.44 -0.10 0.00 0.04 0.00 0.00 177.00 174.78 3bmo s ALA 5 N -3.09 0.83 0.04 8.56 0.00 -1.26 -0.93 121.76 125.90 3bmo s ALA 5 Ca 0.64 -0.68 0.05 0.00 0.00 0.00 0.00 51.96 51.97 3bmo s ALA 5 Cb -0.17 -0.09 -0.02 0.00 0.00 0.00 0.00 23.12 22.84 3bmo s ALA 5 CO 0.56 0.12 -0.14 0.00 0.00 0.00 0.00 175.76 176.30 3bmo s ALA 6 N -0.87 1.13 -0.15 0.00 0.00 0.48 -0.51 121.76 121.84 3bmo s ALA 6 Ca -0.02 -0.81 -0.05 0.00 0.00 0.00 0.00 51.96 51.07 3bmo s ALA 6 Cb -0.07 -0.17 -0.04 0.00 0.00 0.00 0.00 23.12 22.84 3bmo s ALA 6 CO 0.01 0.21 0.02 0.08 0.00 0.00 0.00 175.76 176.08 3bmo s VAL 7 N -0.87 4.45 -0.16 0.00 1.01 -0.10 -0.83 120.40 123.90 3bmo s VAL 7 Ca 0.01 -0.16 0.00 0.00 0.00 0.00 0.00 61.98 61.83 3bmo s VAL 7 Cb -0.08 -2.96 0.02 0.00 0.00 0.00 0.00 36.38 33.37 3bmo s VAL 7 CO 0.01 0.51 -0.14 -0.69 0.00 0.00 0.00 175.10 174.79 3bmo s VAL 8 N 0.04 1.61 0.41 2.92 1.01 -0.65 -0.66 120.40 125.07 3bmo s VAL 8 Ca 0.03 -0.70 -0.19 0.00 0.00 0.00 0.00 61.98 61.13 3bmo s VAL 8 Cb -0.13 -1.53 -0.10 0.00 0.00 0.00 0.00 36.38 34.62 3bmo s VAL 8 CO 0.02 0.42 0.89 0.42 0.00 0.00 0.00 175.10 176.85 3bmo s THR 9 N 1.46 4.49 -1.36 3.92 -4.23 -0.55 -1.84 115.64 117.54 3bmo s THR 9 Ca 0.04 1.31 -0.02 0.00 -1.18 0.00 0.00 61.69 61.84 3bmo s THR 9 Cb -0.13 -3.61 0.01 0.00 1.34 0.00 0.00 72.50 70.11 3bmo s THR 9 CO -0.10 -0.31 0.67 0.61 -0.54 0.00 0.00 174.62 174.94 3bmo n GLY 10 N -0.64 -0.30 1.30 3.99 0.00 -1.05 -2.83 105.19 105.67 3bmo n GLY 10 Ca 0.06 0.14 0.12 0.00 0.00 0.00 0.00 46.02 46.34 3bmo n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bmo n ALA 11 N -4.34 2.39 0.10 4.61 0.00 0.11 -4.12 120.51 119.25 3bmo n ALA 11 Ca -0.26 -1.21 -0.01 0.00 0.00 0.00 0.00 53.44 51.96 3bmo n ALA 11 Cb 0.66 -0.91 0.25 0.00 0.00 0.00 0.00 19.45 19.45 3bmo n ALA 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3bmo h ALA 12 N 4.40 1.17 -2.62 0.00 0.00 -1.89 -2.94 119.26 117.39 3bmo h ALA 12 Ca 0.00 -0.38 -0.19 0.00 0.00 0.00 0.00 54.91 54.34 3bmo h ALA 12 Cb 1.00 -0.09 -0.14 0.00 0.00 0.00 0.00 17.79 18.56 3bmo h ALA 12 CO 0.00 0.55 -0.51 0.15 0.00 0.00 0.00 179.25 179.44 3bmo s LYS 13 N -4.24 1.23 4.89 0.00 1.02 -1.26 -4.46 119.74 116.91 3bmo s LYS 13 Ca -0.05 -1.51 0.00 0.00 0.02 0.00 0.00 55.97 54.43 3bmo s LYS 13 Cb 0.14 0.31 0.00 0.00 -0.52 0.00 0.00 37.83 37.76 3bmo s LYS 13 CO 0.77 -0.42 0.00 0.54 -0.92 0.00 0.00 175.35 175.31 3bmo n ARG 14 N -0.27 0.00 -0.23 1.68 1.74 -1.26 -1.72 116.66 116.61 3bmo n ARG 14 Ca -0.00 0.00 -0.06 0.00 -0.77 0.00 0.00 57.85 57.01 3bmo n ARG 14 Cb 0.65 0.00 0.04 0.00 -1.02 0.00 0.00 32.46 32.13 3bmo n ARG 14 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 3bmo h ILE 15 N 0.00 1.21 -0.86 0.55 2.04 -1.92 -2.19 117.51 116.34 3bmo h ILE 15 Ca 0.00 -0.56 -0.00 0.00 1.00 0.00 0.00 64.86 65.29 3bmo h ILE 15 Cb 0.00 0.41 -0.04 0.00 -0.74 0.00 0.00 36.82 36.45 3bmo h ILE 15 CO 0.00 0.24 0.52 1.23 0.00 0.00 0.00 178.15 180.14 3bmo h GLY 16 N 0.87 1.25 0.96 5.37 0.00 -1.68 -0.72 103.07 109.12 3bmo h GLY 16 Ca 0.22 -0.52 0.01 0.00 0.00 0.00 0.00 47.33 47.04 3bmo h GLY 16 CO -0.03 0.50 0.33 -0.09 0.00 0.00 0.00 176.54 177.25 3bmo h ARG 17 N 1.18 0.65 -0.54 4.80 2.43 -1.13 -0.64 114.38 121.14 3bmo h ARG 17 Ca 0.31 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.42 3bmo h ARG 17 Cb -0.05 -0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 29.33 3bmo h ARG 17 CO -0.06 0.43 0.24 0.00 -1.51 0.00 0.00 179.97 179.07 3bmo h ALA 18 N 1.20 1.40 -0.05 2.80 0.00 -0.69 0.47 119.26 124.41 3bmo h ALA 18 Ca 0.20 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 3bmo h ALA 18 Cb -0.04 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.52 3bmo h ALA 18 CO -0.06 0.46 -0.02 0.82 0.00 0.00 0.00 179.25 180.45 3bmo h ILE 19 N 0.76 1.32 -0.61 0.00 2.04 -0.81 -0.94 117.51 119.28 3bmo h ILE 19 Ca 0.19 -1.01 0.10 0.00 1.00 0.00 0.00 64.86 65.13 3bmo h ILE 19 Cb 0.12 1.90 -0.07 0.00 -0.74 0.00 0.00 36.82 38.03 3bmo h ILE 19 CO -0.02 0.27 0.22 0.00 0.00 0.00 0.00 178.15 178.63 3bmo h ALA 20 N 0.62 0.79 -0.27 1.87 0.00 -0.78 0.64 119.26 122.12 3bmo h ALA 20 Ca 0.01 0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 3bmo h ALA 20 Cb 0.45 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 3bmo h ALA 20 CO 0.01 -0.20 0.10 0.28 0.00 0.00 0.00 179.25 179.44 3bmo h VAL 21 N 0.40 1.18 -0.49 0.00 2.07 -0.82 0.05 116.25 118.64 3bmo h VAL 21 Ca 0.31 -0.56 -0.11 0.00 0.82 0.00 0.00 66.70 67.16 3bmo h VAL 21 Cb 0.40 1.04 -0.02 0.00 -1.52 0.00 0.00 31.29 31.19 3bmo h VAL 21 CO -0.32 0.19 -0.12 0.50 0.02 0.00 0.00 177.57 177.84 3bmo h LYS 22 N 0.29 0.95 -0.64 1.57 3.64 -0.86 0.77 116.57 122.27 3bmo h LYS 22 Ca 0.09 -0.36 0.02 0.00 -1.27 0.00 0.00 60.65 59.13 3bmo h LYS 22 Cb 0.20 -0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 31.93 3bmo h LYS 22 CO -0.01 1.03 0.41 -0.07 -2.27 0.00 0.00 179.45 178.54 3bmo h LEU 23 N 0.80 0.69 -0.54 5.20 3.38 -0.73 -1.67 115.31 122.44 3bmo h LEU 23 Ca 0.12 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.06 3bmo h LEU 23 Cb 0.67 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 3bmo h LEU 23 CO 0.05 0.49 0.23 -0.74 0.09 0.00 0.00 178.44 178.56 3bmo h HIS 24 N 0.83 0.81 0.00 1.13 2.76 -0.51 -1.11 115.15 119.06 3bmo h HIS 24 Ca 0.25 -0.06 -0.01 0.00 -2.20 0.00 0.00 60.37 58.36 3bmo h HIS 24 Cb -0.04 -0.25 -0.00 0.00 1.55 0.00 0.00 27.41 28.68 3bmo h HIS 24 CO -0.04 0.66 -0.02 1.96 -1.30 0.00 0.00 177.93 179.18 3bmo h GLN 25 N 0.73 0.00 0.00 5.26 4.20 -0.59 -0.47 115.11 124.24 3bmo h GLN 25 Ca 0.18 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.89 3bmo h GLN 25 Cb 0.18 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.96 3bmo h GLN 25 CO -0.02 0.02 -0.10 2.41 -0.67 0.00 0.00 178.83 180.48 3bmo n THR 26 N -4.35 0.06 0.00 -0.54 -1.04 -0.65 -4.92 114.28 102.84 3bmo n THR 26 Ca -0.03 -0.03 0.00 0.00 -2.04 0.00 0.00 64.05 61.95 3bmo n THR 26 Cb 0.11 -0.37 0.00 0.00 -1.82 0.00 0.00 70.33 68.25 3bmo n THR 26 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3bmo n GLY 27 N 1.48 0.90 3.80 3.41 0.00 -0.18 -5.08 105.19 109.52 3bmo n GLY 27 Ca 0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.74 3bmo n GLY 27 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3bmo s TYR 28 N -2.00 3.36 0.24 1.61 1.51 -0.48 -4.42 117.35 117.17 3bmo s TYR 28 Ca 0.00 1.65 -0.22 0.00 -1.01 0.00 0.00 57.07 57.50 3bmo s TYR 28 Cb 0.00 -2.93 -0.09 0.00 -0.11 0.00 0.00 41.96 38.83 3bmo s TYR 28 CO 0.00 -0.19 0.78 1.03 -1.11 0.00 0.00 175.55 176.05 3bmo s ARG 29 N -2.81 4.35 -0.01 -0.62 0.52 -0.11 -4.16 118.95 116.12 3bmo s ARG 29 Ca 0.59 1.00 0.04 0.00 -0.52 0.00 0.00 55.73 56.83 3bmo s ARG 29 Cb -0.14 -2.90 -0.01 0.00 0.52 0.00 0.00 34.95 32.41 3bmo s ARG 29 CO 0.19 0.39 -0.12 0.14 0.02 0.00 0.00 175.30 175.91 3bmo s VAL 30 N -1.50 0.98 -0.32 3.52 -7.23 -0.25 -0.39 120.40 115.21 3bmo s VAL 30 Ca 0.44 -0.53 -0.14 0.00 -1.81 0.00 0.00 61.98 59.93 3bmo s VAL 30 Cb -0.18 -0.82 -0.02 0.00 0.56 0.00 0.00 36.38 35.92 3bmo s VAL 30 CO 0.22 0.28 0.32 -0.69 -0.31 0.00 0.00 175.10 174.92 3bmo s VAL 31 N -0.30 5.21 -0.67 1.32 1.01 -0.01 -1.72 120.40 125.25 3bmo s VAL 31 Ca 0.05 0.08 -0.19 0.00 0.00 0.00 0.00 61.98 61.92 3bmo s VAL 31 Cb -0.05 -3.75 0.11 0.00 0.00 0.00 0.00 36.38 32.69 3bmo s VAL 31 CO -0.00 -0.01 0.80 -0.63 0.00 0.00 0.00 175.10 175.26 3bmo s ILE 32 N 1.94 4.80 0.31 2.22 1.01 0.69 -1.63 121.20 130.55 3bmo s ILE 32 Ca 0.11 -1.10 -0.27 0.00 0.00 0.00 0.00 60.65 59.39 3bmo s ILE 32 Cb -0.17 -4.56 -0.10 0.00 0.01 0.00 0.00 42.46 37.65 3bmo s ILE 32 CO 0.11 -1.22 0.94 -2.28 0.00 0.00 0.00 174.94 172.49 3bmo s HIS 33 N 2.68 3.73 0.22 3.97 5.65 -0.77 -1.20 115.29 129.57 3bmo s HIS 33 Ca 0.16 1.80 -0.10 0.00 0.25 0.00 0.00 55.06 57.17 3bmo s HIS 33 Cb -0.19 -2.93 -0.01 0.00 -1.18 0.00 0.00 32.58 28.27 3bmo s HIS 33 CO 0.03 0.25 0.37 1.52 -0.65 0.00 0.00 174.74 176.26 3bmo s TYR 34 N -1.55 0.48 0.00 3.88 1.13 -0.57 -0.72 117.35 120.00 3bmo s TYR 34 Ca 0.49 -0.82 0.00 0.00 -1.41 0.00 0.00 57.07 55.33 3bmo s TYR 34 Cb -0.20 0.01 0.00 0.00 -1.10 0.00 0.00 41.96 40.67 3bmo s TYR 34 CO 0.25 -0.86 0.00 1.58 -2.51 0.00 0.00 175.55 174.01 3bmo n HIS 35 N -0.32 0.00 0.03 -3.49 -0.00 -1.26 -0.96 115.22 109.23 3bmo n HIS 35 Ca -0.03 0.00 0.09 0.00 0.46 0.00 0.00 57.72 58.25 3bmo n HIS 35 Cb 0.63 0.00 -0.10 0.00 -0.12 0.00 0.00 29.99 30.40 3bmo n HIS 35 CO 0.00 0.00 0.00 0.09 0.46 0.00 0.00 176.34 176.89 3bmo n ASN 36 N -1.83 0.39 -3.48 0.26 3.02 -1.26 -4.72 115.26 107.65 3bmo n ASN 36 Ca 0.00 0.15 -0.40 0.00 -0.03 0.00 0.00 54.58 54.30 3bmo n ASN 36 Cb 0.00 1.22 -0.00 0.00 -0.61 0.00 0.00 39.78 40.39 3bmo n ASN 36 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 3bmo n SER 37 N -2.49 8.07 -0.15 6.41 7.64 -1.26 -4.73 113.62 127.12 3bmo n SER 37 Ca -0.04 -3.13 -0.08 0.00 1.01 0.00 0.00 58.87 56.62 3bmo n SER 37 Cb 0.61 -1.36 0.00 0.00 -1.01 0.00 0.00 64.21 62.45 3bmo n SER 37 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3bmo h ALA 38 N 4.60 0.56 -0.23 -0.43 0.00 -1.97 -0.73 119.26 121.05 3bmo h ALA 38 Ca 0.71 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.51 3bmo h ALA 38 Cb 0.30 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3bmo h ALA 38 CO 1.48 0.12 0.12 1.49 0.00 0.00 0.00 179.25 182.46 3bmo h GLU 39 N 0.57 0.33 -0.79 0.00 4.81 -2.00 -1.10 114.58 116.39 3bmo h GLU 39 Ca 0.15 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.29 3bmo h GLU 39 Cb 0.10 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.39 3bmo h GLU 39 CO -0.02 0.31 0.32 0.00 -0.73 0.00 0.00 179.01 178.90 3bmo h ALA 40 N 1.00 1.07 -0.17 2.92 0.00 -1.87 -0.81 119.26 121.41 3bmo h ALA 40 Ca 0.08 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 3bmo h ALA 40 Cb 0.09 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 3bmo h ALA 40 CO -0.01 0.66 0.08 0.00 0.00 0.00 0.00 179.25 179.98 3bmo h ALA 41 N 1.20 0.22 -0.64 0.00 0.00 -0.69 -1.41 119.26 117.94 3bmo h ALA 41 Ca 0.27 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 55.03 3bmo h ALA 41 Cb 0.20 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 3bmo h ALA 41 CO -0.02 -0.21 0.15 0.28 0.00 0.00 0.00 179.25 179.45 3bmo h VAL 42 N 0.14 1.26 -0.36 0.00 2.07 -1.11 -0.54 116.25 117.71 3bmo h VAL 42 Ca 0.06 -0.94 0.03 0.00 0.82 0.00 0.00 66.70 66.67 3bmo h VAL 42 Cb 0.13 0.64 -0.03 0.00 -1.52 0.00 0.00 31.29 30.51 3bmo h VAL 42 CO -0.01 0.35 0.18 -1.28 0.02 0.00 0.00 177.57 176.83 3bmo h SER 43 N 0.94 0.26 -0.19 0.57 0.87 -1.03 0.17 113.55 115.14 3bmo h SER 43 Ca 0.20 0.02 -0.00 0.00 -1.23 0.00 0.00 61.79 60.78 3bmo h SER 43 Cb 0.36 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.29 3bmo h SER 43 CO 0.00 0.19 0.12 0.25 -0.53 0.00 0.00 176.83 176.86 3bmo h LEU 44 N 0.37 0.23 -0.84 2.23 5.85 -0.96 -1.98 115.31 120.21 3bmo h LEU 44 Ca 0.15 -0.04 -0.03 0.00 0.84 0.00 0.00 57.88 58.80 3bmo h LEU 44 Cb 0.07 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.00 3bmo h LEU 44 CO -0.11 0.20 0.42 0.00 -0.34 0.00 0.00 178.44 178.61 3bmo h ALA 45 N 1.03 1.08 -0.45 1.25 0.00 -0.65 -0.81 119.26 120.71 3bmo h ALA 45 Ca 0.07 -0.15 0.04 0.00 0.00 0.00 0.00 54.91 54.87 3bmo h ALA 45 Cb 0.02 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 17.43 3bmo h ALA 45 CO -0.01 0.63 0.22 -0.44 0.00 0.00 0.00 179.25 179.64 3bmo h ASP 46 N 1.19 0.31 -0.35 0.00 3.32 -0.51 -0.14 116.42 120.24 3bmo h ASP 46 Ca 0.29 0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.36 3bmo h ASP 46 Cb 0.09 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 39.60 3bmo h ASP 46 CO -0.04 0.22 0.20 -0.33 -1.72 0.00 0.00 179.24 177.57 3bmo h GLU 47 N 0.44 0.48 -0.55 3.56 5.08 -0.63 -0.82 114.58 122.14 3bmo h GLU 47 Ca 0.19 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.47 3bmo h GLU 47 Cb 0.11 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 3bmo h GLU 47 CO -0.14 0.38 0.20 -0.07 -1.00 0.00 0.00 179.01 178.38 3bmo h LEU 48 N 0.44 0.77 -1.45 1.33 3.38 -0.88 -2.37 115.31 116.54 3bmo h LEU 48 Ca 0.12 -0.18 -0.05 0.00 0.09 0.00 0.00 57.88 57.86 3bmo h LEU 48 Cb 0.03 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 3bmo h LEU 48 CO -0.02 0.74 -0.23 0.78 0.09 0.00 0.00 178.44 179.80 3bmo h ASN 49 N 0.75 0.06 -0.44 -0.43 2.35 -0.90 -0.46 115.58 116.51 3bmo h ASN 49 Ca 0.18 -0.01 -0.09 0.00 -0.55 0.00 0.00 56.30 55.82 3bmo h ASN 49 Cb 0.22 -0.02 -0.02 0.00 0.05 0.00 0.00 38.32 38.56 3bmo h ASN 49 CO -0.01 0.30 -0.06 0.11 -1.65 0.00 0.00 177.43 176.12 3bmo h LYS 50 N 0.06 0.88 -0.08 0.81 1.57 -0.93 -2.15 116.57 116.73 3bmo h LYS 50 Ca 0.01 -0.28 -0.02 0.00 -1.87 0.00 0.00 60.65 58.49 3bmo h LYS 50 Cb 0.45 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.67 3bmo h LYS 50 CO 0.03 0.91 -0.04 1.49 -0.57 0.00 0.00 179.45 181.27 3bmo h GLU 51 N 0.80 0.17 -2.89 3.15 4.57 -0.83 -3.43 114.58 116.13 3bmo h GLU 51 Ca 0.14 -0.08 -0.36 0.00 -1.18 0.00 0.00 59.36 57.88 3bmo h GLU 51 Cb 0.56 -0.00 -0.38 0.00 -0.16 0.00 0.00 28.75 28.77 3bmo h GLU 51 CO 0.03 0.54 -0.68 1.03 -1.18 0.00 0.00 179.01 178.75 3bmo s ARG 52 N -4.55 0.09 0.25 1.92 0.52 -0.26 -5.12 118.95 111.81 3bmo s ARG 52 Ca -0.15 0.21 -0.30 0.00 -0.52 0.00 0.00 55.73 54.97 3bmo s ARG 52 Cb 0.04 -1.14 -0.14 0.00 0.52 0.00 0.00 34.95 34.23 3bmo s ARG 52 CO 0.71 -0.55 1.17 0.43 0.02 0.00 0.00 175.30 177.07 3bmo n SER 53 N 5.31 1.80 -3.65 0.23 7.64 -0.82 -3.11 113.62 121.02 3bmo n SER 53 Ca -0.06 1.16 -0.25 0.00 1.01 0.00 0.00 58.87 60.74 3bmo n SER 53 Cb 0.49 -1.32 0.07 0.00 -1.01 0.00 0.00 64.21 62.44 3bmo n SER 53 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 3bmo n ASN 54 N 1.58 -6.15 -0.18 6.43 4.13 -1.26 -4.90 115.26 114.90 3bmo n ASN 54 Ca 0.11 -0.58 0.02 0.00 1.68 0.00 0.00 54.58 55.81 3bmo n ASN 54 Cb 0.30 -4.87 0.03 0.00 -1.54 0.00 0.00 39.78 33.70 3bmo n ASN 54 CO 0.00 0.00 0.00 0.35 0.28 0.00 0.00 177.26 177.89 3bmo n THR 55 N -4.97 0.27 -3.78 3.41 -2.24 -1.18 -5.01 114.28 100.78 3bmo n THR 55 Ca 0.01 -0.63 -0.13 0.00 -2.27 0.00 0.00 64.05 61.03 3bmo n THR 55 Cb 0.56 0.93 -0.13 0.00 -2.10 0.00 0.00 70.33 69.58 3bmo n THR 55 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3bmo s ALA 56 N -0.51 -0.40 0.10 6.98 0.00 -1.26 -1.09 121.76 125.57 3bmo s ALA 56 Ca 0.06 0.62 0.02 0.00 0.00 0.00 0.00 51.96 52.66 3bmo s ALA 56 Cb 0.04 -0.39 -0.04 0.00 0.00 0.00 0.00 23.12 22.73 3bmo s ALA 56 CO 0.05 -0.12 -0.07 0.14 0.00 0.00 0.00 175.76 175.76 3bmo s VAL 57 N 0.59 0.74 0.22 0.00 -7.23 -0.70 -4.89 120.40 109.13 3bmo s VAL 57 Ca -0.04 -1.94 0.07 0.00 -1.81 0.00 0.00 61.98 58.26 3bmo s VAL 57 Cb -0.06 -1.69 -0.04 0.00 0.56 0.00 0.00 36.38 35.15 3bmo s VAL 57 CO -0.03 -0.86 0.13 0.68 -0.31 0.00 0.00 175.10 174.71 3bmo s VAL 58 N -3.58 4.22 -0.20 1.32 -7.23 -1.26 -0.22 120.40 113.45 3bmo s VAL 58 Ca 0.12 -1.41 -0.04 0.00 -1.81 0.00 0.00 61.98 58.84 3bmo s VAL 58 Cb 0.05 -3.23 0.10 0.00 0.56 0.00 0.00 36.38 33.86 3bmo s VAL 58 CO -0.04 -0.27 0.32 0.00 -0.31 0.00 0.00 175.10 174.80 3bmo s GLN 60 N 2.47 4.41 -0.27 0.00 -0.44 -1.26 -1.51 119.66 123.05 3bmo s GLN 60 Ca 0.06 0.84 -0.25 0.00 -2.50 0.00 0.00 55.36 53.51 3bmo s GLN 60 Cb -0.14 -3.41 0.08 0.00 -1.64 0.00 0.00 33.01 27.90 3bmo s GLN 60 CO -0.13 0.19 0.78 0.00 0.50 0.00 0.00 175.29 176.63 3bmo s ALA 61 N 0.39 -1.82 0.01 1.58 0.00 -0.13 -4.95 121.76 116.83 3bmo s ALA 61 Ca 0.35 2.02 -0.30 0.00 0.00 0.00 0.00 51.96 54.03 3bmo s ALA 61 Cb -0.18 -1.24 -0.04 0.00 0.00 0.00 0.00 23.12 21.66 3bmo s ALA 61 CO 0.18 -0.32 1.05 0.34 0.00 0.00 0.00 175.76 177.00 3bmo s ASP 62 N 0.41 7.28 -0.03 0.00 -1.08 -1.26 -4.27 116.67 117.71 3bmo s ASP 62 Ca 0.00 1.75 0.16 0.00 -0.52 0.00 0.00 52.55 53.95 3bmo s ASP 62 Cb -0.05 -2.57 0.50 0.00 -1.46 0.00 0.00 42.92 39.34 3bmo s ASP 62 CO -0.01 -0.33 1.42 0.18 0.52 0.00 0.00 175.17 176.94 3bmo n LEU 63 N 4.00 3.62 -4.75 -1.34 4.77 -1.26 -4.95 117.00 117.09 3bmo n LEU 63 Ca 0.07 -2.14 -0.42 0.00 -0.03 0.00 0.00 56.01 53.50 3bmo n LEU 63 Cb 0.50 -0.39 -0.01 0.00 -2.33 0.00 0.00 43.42 41.18 3bmo n LEU 63 CO 0.53 0.83 1.15 0.41 -1.33 0.00 0.00 177.39 178.98 3bmo n THR 64 N 0.92 1.49 -2.00 -5.08 -1.04 -1.26 -3.15 114.28 104.16 3bmo n THR 64 Ca 0.19 -0.37 -0.39 0.00 -2.04 0.00 0.00 64.05 61.43 3bmo n THR 64 Cb 0.59 -1.89 0.00 0.00 -1.82 0.00 0.00 70.33 67.21 3bmo n THR 64 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 3bmo s ASN 65 N 0.16 6.18 0.09 8.00 2.47 -0.30 -4.74 114.94 126.80 3bmo s ASN 65 Ca 0.59 2.69 -0.26 0.00 0.42 0.00 0.00 52.86 56.30 3bmo s ASN 65 Cb -0.51 -2.64 0.09 0.00 -1.45 0.00 0.00 41.25 36.74 3bmo s ASN 65 CO 0.56 -0.94 1.12 -0.94 -3.72 0.00 0.00 177.10 173.18 3bmo s SER 66 N -0.73 -0.06 0.23 -4.21 1.04 -1.26 -4.86 113.70 103.84 3bmo s SER 66 Ca 0.58 -0.37 0.21 0.00 0.48 0.00 0.00 55.95 56.85 3bmo s SER 66 Cb -0.39 0.35 0.92 0.00 0.10 0.00 0.00 66.02 67.00 3bmo s SER 66 CO 0.50 -0.67 1.63 0.59 0.98 0.00 0.00 173.24 176.27 3bmo n ASN 67 N -0.77 0.52 -0.37 7.02 3.02 -1.26 -2.33 115.26 121.09 3bmo n ASN 67 Ca -0.05 0.66 0.09 0.00 -0.03 0.00 0.00 54.58 55.26 3bmo n ASN 67 Cb 0.61 -0.76 -0.02 0.00 -0.61 0.00 0.00 39.78 39.00 3bmo n ASN 67 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 3bmo n VAL 68 N -2.11 0.00 -0.26 2.41 0.24 -1.26 -4.50 118.33 112.85 3bmo n VAL 68 Ca 0.01 -0.26 0.06 0.00 -2.04 0.00 0.00 64.34 62.11 3bmo n VAL 68 Cb 0.16 1.19 0.19 0.00 -1.47 0.00 0.00 33.84 33.92 3bmo n VAL 68 CO 0.00 0.00 0.00 0.25 -2.14 0.00 0.00 176.83 174.94 3bmo h LEU 69 N 1.80 0.31 -0.98 1.34 5.85 -1.75 -0.24 115.31 121.63 3bmo h LEU 69 Ca 0.00 0.11 0.12 0.00 0.84 0.00 0.00 57.88 58.95 3bmo h LEU 69 Cb 0.63 0.08 -0.08 0.00 0.37 0.00 0.00 40.66 41.65 3bmo h LEU 69 CO 0.00 0.12 0.61 -0.65 -0.34 0.00 0.00 178.44 178.17 3bmo h PRO 70 N 0.46 0.93 -0.48 5.25 0.11 -1.79 -0.19 132.00 136.29 3bmo h PRO 70 Ca 0.42 -0.06 -0.11 0.00 0.11 0.00 0.00 66.00 66.37 3bmo h PRO 70 Cb 0.64 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 31.52 3bmo h PRO 70 CO -0.40 0.62 -0.13 0.00 -0.21 0.00 0.00 178.00 177.88 3bmo h ALA 71 N 1.53 0.66 -0.62 -0.75 0.00 -1.40 -0.51 119.26 118.18 3bmo h ALA 71 Ca 0.49 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3bmo h ALA 71 Cb 0.49 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 3bmo h ALA 71 CO -0.27 0.58 0.40 0.77 0.00 0.00 0.00 179.25 180.73 3bmo h SER 72 N 0.78 0.73 -0.30 0.00 0.02 -0.62 -0.21 113.55 113.94 3bmo h SER 72 Ca 0.12 -0.03 -0.07 0.00 -0.84 0.00 0.00 61.79 60.97 3bmo h SER 72 Cb 0.68 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 63.03 3bmo h SER 72 CO 0.05 0.54 -0.07 0.00 -1.14 0.00 0.00 176.83 176.21 3bmo h GLU 74 N 0.35 0.73 -0.39 0.00 4.81 -0.93 -2.60 114.58 116.56 3bmo h GLU 74 Ca 0.08 -0.04 -0.10 0.00 -0.13 0.00 0.00 59.36 59.16 3bmo h GLU 74 Cb 0.55 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.75 3bmo h GLU 74 CO 0.03 0.48 -0.18 1.49 -0.73 0.00 0.00 179.01 180.11 3bmo h GLU 75 N 0.75 0.73 -0.09 1.92 4.57 -0.66 0.21 114.58 122.01 3bmo h GLU 75 Ca 0.48 -0.27 0.00 0.00 -1.18 0.00 0.00 59.36 58.39 3bmo h GLU 75 Cb 0.61 -0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 29.15 3bmo h GLU 75 CO -0.33 0.86 0.05 0.82 -1.18 0.00 0.00 179.01 179.23 3bmo h ILE 76 N 0.65 1.04 -0.46 2.32 2.04 -0.93 0.12 117.51 122.28 3bmo h ILE 76 Ca 0.10 -0.11 -0.03 0.00 1.00 0.00 0.00 64.86 65.82 3bmo h ILE 76 Cb 0.66 0.96 -0.02 0.00 -0.74 0.00 0.00 36.82 37.68 3bmo h ILE 76 CO 0.05 0.04 0.18 0.40 0.00 0.00 0.00 178.15 178.82 3bmo h ILE 77 N 0.09 1.21 -0.69 -0.67 1.08 -1.32 -2.71 117.51 114.50 3bmo h ILE 77 Ca 0.03 -0.65 0.08 0.00 -0.39 0.00 0.00 64.86 63.93 3bmo h ILE 77 Cb 0.02 0.78 -0.04 0.00 -3.07 0.00 0.00 36.82 34.50 3bmo h ILE 77 CO -0.01 0.24 0.45 0.78 -0.69 0.00 0.00 178.15 178.93 3bmo h ASN 78 N 0.60 0.57 -0.47 1.72 2.35 -0.65 -1.35 115.58 118.34 3bmo h ASN 78 Ca 0.15 0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.90 3bmo h ASN 78 Cb 0.20 -0.11 -0.02 0.00 0.05 0.00 0.00 38.32 38.43 3bmo h ASN 78 CO -0.01 0.36 0.28 0.77 -1.65 0.00 0.00 177.43 177.18 3bmo h SER 79 N 0.64 0.59 -0.24 5.81 4.64 -0.45 0.68 113.55 125.22 3bmo h SER 79 Ca 0.31 -0.03 -0.09 0.00 -0.47 0.00 0.00 61.79 61.50 3bmo h SER 79 Cb 0.36 -0.15 -0.00 0.00 -0.31 0.00 0.00 62.40 62.30 3bmo h SER 79 CO -0.10 0.47 -0.19 0.00 -0.87 0.00 0.00 176.83 176.14 3bmo h PHE 81 N 0.25 0.75 -0.35 0.00 0.04 -1.12 -0.26 116.94 116.25 3bmo h PHE 81 Ca 0.04 -0.12 -0.04 0.00 2.80 0.00 0.00 57.97 60.66 3bmo h PHE 81 Cb 0.73 -0.20 -0.01 0.00 2.20 0.00 0.00 35.95 38.67 3bmo h PHE 81 CO 0.07 0.74 0.06 -0.09 -0.60 0.00 0.00 178.31 178.49 3bmo h ARG 82 N 0.65 0.58 -0.10 1.51 2.43 -0.79 0.82 114.38 119.47 3bmo h ARG 82 Ca 0.12 -0.15 -0.21 0.00 -0.81 0.00 0.00 59.98 58.92 3bmo h ARG 82 Cb 0.50 -0.07 0.01 0.00 -0.42 0.00 0.00 29.97 29.99 3bmo h ARG 82 CO 0.03 0.65 -0.77 0.00 -1.51 0.00 0.00 179.97 178.36 3bmo h ALA 83 N 0.90 0.22 0.00 2.80 0.00 -1.25 -3.41 119.26 118.53 3bmo h ALA 83 Ca 0.11 -0.60 0.00 0.00 0.00 0.00 0.00 54.91 54.41 3bmo h ALA 83 Cb 0.35 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3bmo h ALA 83 CO 0.01 0.60 -0.04 1.19 0.00 0.00 0.00 179.25 181.01 3bmo n PHE 84 N -4.00 0.00 -0.90 0.00 3.72 -0.12 -5.03 117.46 111.14 3bmo n PHE 84 Ca -0.09 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.31 3bmo n PHE 84 Cb 0.74 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.28 3bmo n PHE 84 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3bmo n GLY 85 N 0.75 0.63 3.63 1.37 0.00 0.28 -4.96 105.19 106.89 3bmo n GLY 85 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 3bmo n GLY 85 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3bmo s ARG 86 N -0.10 0.89 -0.26 1.61 1.70 -1.26 -4.95 118.95 116.58 3bmo s ARG 86 Ca 0.00 -0.43 -0.01 0.00 -0.47 0.00 0.00 55.73 54.82 3bmo s ARG 86 Cb 0.00 0.35 0.14 0.00 -0.57 0.00 0.00 34.95 34.87 3bmo s ARG 86 CO 0.00 -0.40 0.38 0.00 -1.08 0.00 0.00 175.30 174.20 3bmo n ASP 88 N 5.36 0.21 -3.95 0.00 8.00 0.34 -4.98 116.55 121.53 3bmo n ASP 88 Ca -0.02 0.10 -0.16 0.00 0.71 0.00 0.00 54.79 55.42 3bmo n ASP 88 Cb 0.50 0.75 -0.14 0.00 -0.02 0.00 0.00 41.12 42.20 3bmo n ASP 88 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3bmo s VAL 89 N -2.52 0.39 -0.10 2.53 1.01 -0.99 -1.49 120.40 119.22 3bmo s VAL 89 Ca -0.09 -0.20 0.02 0.00 0.00 0.00 0.00 61.98 61.71 3bmo s VAL 89 Cb 0.06 -0.33 0.01 0.00 0.00 0.00 0.00 36.38 36.13 3bmo s VAL 89 CO 0.83 0.11 -0.16 -0.22 0.00 0.00 0.00 175.10 175.66 3bmo s LEU 90 N -0.08 1.76 -0.24 3.92 2.96 -0.84 -0.93 118.68 125.23 3bmo s LEU 90 Ca 0.01 -0.43 -0.01 0.00 -0.22 0.00 0.00 54.13 53.49 3bmo s LEU 90 Cb -0.02 -1.10 0.03 0.00 0.50 0.00 0.00 46.19 45.60 3bmo s LEU 90 CO -0.00 0.03 -0.08 -0.69 -1.32 0.00 0.00 176.35 174.29 3bmo s VAL 91 N 0.89 2.71 -0.85 1.68 1.01 0.16 -1.06 120.40 124.95 3bmo s VAL 91 Ca -0.09 -1.10 -0.18 0.00 0.00 0.00 0.00 61.98 60.62 3bmo s VAL 91 Cb -0.15 -2.38 0.14 0.00 0.00 0.00 0.00 36.38 33.98 3bmo s VAL 91 CO -0.00 0.20 1.00 0.20 0.00 0.00 0.00 175.10 176.49 3bmo s ASN 92 N 1.29 6.56 -0.13 3.32 0.01 0.05 -1.48 114.94 124.56 3bmo s ASN 92 Ca -0.01 -2.00 0.03 0.00 -0.71 0.00 0.00 52.86 50.18 3bmo s ASN 92 Cb -0.17 -2.35 -0.10 0.00 0.41 0.00 0.00 41.25 39.04 3bmo s ASN 92 CO -0.05 -1.01 -0.08 -3.20 -1.51 0.00 0.00 177.10 171.24 3bmo n ASN 93 N 6.15 2.75 -4.62 -1.22 5.15 -1.25 -1.22 115.26 120.98 3bmo n ASN 93 Ca 0.16 -0.06 -0.43 0.00 -0.60 0.00 0.00 54.58 53.65 3bmo n ASN 93 Cb 0.48 0.03 -0.00 0.00 -0.53 0.00 0.00 39.78 39.75 3bmo n ASN 93 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3bmo n ALA 94 N -2.79 0.27 -3.62 5.20 0.00 -1.13 -4.89 120.51 113.56 3bmo n ALA 94 Ca -0.23 0.33 -0.04 0.00 0.00 0.00 0.00 53.44 53.50 3bmo n ALA 94 Cb 0.79 -2.10 -0.06 0.00 0.00 0.00 0.00 19.45 18.08 3bmo n ALA 94 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3bmo s SER 95 N -0.55 -0.75 0.20 0.00 0.15 -1.26 -4.53 113.70 106.97 3bmo s SER 95 Ca 0.59 1.16 -0.23 0.00 0.70 0.00 0.00 55.95 58.17 3bmo s SER 95 Cb -0.62 1.43 -0.08 0.00 -1.71 0.00 0.00 66.02 65.04 3bmo s SER 95 CO 0.60 -0.18 0.77 0.00 1.20 0.00 0.00 173.24 175.63 3bmo s ALA 96 N 1.72 3.41 -0.21 5.45 0.00 -1.26 -5.05 121.76 125.83 3bmo s ALA 96 Ca -0.08 0.30 -0.04 0.00 0.00 0.00 0.00 51.96 52.14 3bmo s ALA 96 Cb -0.05 -2.92 0.10 0.00 0.00 0.00 0.00 23.12 20.25 3bmo s ALA 96 CO -0.17 0.30 0.29 0.12 0.00 0.00 0.00 175.76 176.29 3bmo s PHE 97 N -1.34 -0.50 -0.12 0.00 5.36 -1.26 -4.86 117.98 115.26 3bmo s PHE 97 Ca 0.40 0.57 -0.31 0.00 -0.96 0.00 0.00 56.93 56.63 3bmo s PHE 97 Cb -0.20 -0.17 0.12 0.00 -0.34 0.00 0.00 43.02 42.44 3bmo s PHE 97 CO 0.24 -0.61 1.02 1.52 -1.46 0.00 0.00 175.22 175.94 3bmo s TYR 98 N 2.42 -0.29 0.52 10.12 -0.85 -1.26 -5.16 117.35 122.85 3bmo s TYR 98 Ca 0.08 0.34 -0.20 0.00 -0.52 0.00 0.00 57.07 56.77 3bmo s TYR 98 Cb -0.15 0.50 -0.07 0.00 0.38 0.00 0.00 41.96 42.62 3bmo s TYR 98 CO -0.13 -0.37 1.09 -1.25 -1.52 0.00 0.00 175.55 173.38 3bmo s PRO 99 N -2.08 3.55 -0.45 -3.49 0.04 -1.26 -4.70 135.00 126.60 3bmo s PRO 99 Ca 0.04 1.51 0.05 0.00 0.04 0.00 0.00 61.00 62.63 3bmo s PRO 99 Cb -0.01 -2.04 0.18 0.00 0.04 0.00 0.00 34.50 32.67 3bmo s PRO 99 CO -0.04 -0.67 0.39 0.25 0.04 0.00 0.00 177.00 176.97 3bmo n THR 100 N -1.15 -0.75 -1.72 1.26 -2.24 0.90 -4.99 114.28 105.60 3bmo n THR 100 Ca 0.11 -3.70 -0.42 0.00 -2.27 0.00 0.00 64.05 57.76 3bmo n THR 100 Cb 0.52 -1.76 -0.00 0.00 -2.10 0.00 0.00 70.33 66.98 3bmo n THR 100 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 3bmo n PRO 101 N 2.51 2.22 0.12 -0.78 -0.02 -1.22 -4.32 135.00 133.51 3bmo n PRO 101 Ca 0.28 0.78 -0.01 0.00 -2.02 0.00 0.00 63.50 62.53 3bmo n PRO 101 Cb 0.47 -2.43 0.06 0.00 -0.02 0.00 0.00 33.50 31.58 3bmo n PRO 101 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3bmo h LEU 102 N 2.54 0.00 -8.57 2.45 3.38 -2.01 -3.45 115.31 109.66 3bmo h LEU 102 Ca -0.48 0.00 -0.66 0.00 0.09 0.00 0.00 57.88 56.83 3bmo h LEU 102 Cb 1.28 0.00 -0.29 0.00 0.09 0.00 0.00 40.66 41.73 3bmo h LEU 102 CO 0.62 0.68 -0.88 -0.69 0.09 0.00 0.00 178.44 178.27 3bmo s VAL 103 N -3.12 1.92 0.00 1.22 1.01 -1.26 -5.26 120.40 114.91 3bmo s VAL 103 Ca 0.01 -1.09 0.00 0.00 0.00 0.00 0.00 61.98 60.91 3bmo s VAL 103 Cb 0.10 -1.60 0.00 0.00 0.00 0.00 0.00 36.38 34.88 3bmo s VAL 103 CO 0.76 0.50 0.00 0.00 0.00 0.00 0.00 175.10 176.36 3bmo n GLN 104 N 2.36 2.57 -1.46 2.72 6.02 -1.26 -5.19 117.38 123.14 3bmo n GLN 104 Ca -0.16 0.00 -0.28 0.00 -0.01 0.00 0.00 57.00 56.55 3bmo n GLN 104 Cb 0.52 0.00 0.08 0.00 1.02 0.00 0.00 30.24 31.86 3bmo n GLN 104 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3bmo n GLY 113 N 4.84 5.80 3.74 1.08 0.00 -1.26 -5.26 105.19 114.13 3bmo n GLY 113 Ca 0.00 -2.19 -0.41 0.00 0.00 0.00 0.00 46.02 43.42 3bmo n GLY 113 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3bmo s LYS 114 N -3.67 4.75 0.84 1.61 1.02 -1.26 -5.03 119.74 118.01 3bmo s LYS 114 Ca 0.59 1.53 -0.11 0.00 0.02 0.00 0.00 55.97 58.00 3bmo s LYS 114 Cb 0.47 -3.31 0.10 0.00 -0.52 0.00 0.00 37.83 34.58 3bmo s LYS 114 CO 0.01 0.33 1.11 0.95 -0.92 0.00 0.00 175.35 176.83 3bmo s THR 115 N -0.65 2.80 0.27 2.17 -4.23 -1.26 -4.86 115.64 109.89 3bmo s THR 115 Ca 0.44 0.26 -0.01 0.00 -1.18 0.00 0.00 61.69 61.21 3bmo s THR 115 Cb -0.26 -2.58 0.12 0.00 1.34 0.00 0.00 72.50 71.12 3bmo s THR 115 CO 0.32 -0.34 1.77 1.62 -0.54 0.00 0.00 174.62 177.46 3bmo h VAL 116 N -1.47 1.24 -0.36 2.29 3.04 -1.99 -1.50 116.25 117.50 3bmo h VAL 116 Ca -0.45 -0.98 -0.05 0.00 -1.01 0.00 0.00 66.70 64.21 3bmo h VAL 116 Cb 1.25 0.90 -0.02 0.00 -2.01 0.00 0.00 31.29 31.42 3bmo h VAL 116 CO 0.48 0.34 0.02 -0.33 -1.01 0.00 0.00 177.57 177.08 3bmo h GLU 117 N 0.69 0.56 -0.43 4.17 4.39 -1.99 0.24 114.58 122.21 3bmo h GLU 117 Ca 0.14 -0.12 -0.13 0.00 0.34 0.00 0.00 59.36 59.58 3bmo h GLU 117 Cb 0.44 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.00 3bmo h GLU 117 CO 0.02 0.57 -0.25 0.00 -1.16 0.00 0.00 179.01 178.19 3bmo h THR 118 N 0.54 1.27 -0.67 1.13 1.03 -1.80 -0.99 112.91 113.43 3bmo h THR 118 Ca 0.12 -1.41 0.01 0.00 -0.01 0.00 0.00 66.41 65.11 3bmo h THR 118 Cb 0.32 1.24 -0.03 0.00 -1.07 0.00 0.00 68.15 68.61 3bmo h THR 118 CO 0.01 0.48 0.44 1.56 -0.01 0.00 0.00 175.52 178.00 3bmo h GLN 119 N 0.77 0.88 -0.20 0.00 4.20 -0.64 0.58 115.11 120.70 3bmo h GLN 119 Ca 0.09 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.75 3bmo h GLN 119 Cb 0.83 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 28.40 3bmo h GLN 119 CO 0.07 0.58 0.12 0.28 -0.67 0.00 0.00 178.83 179.22 3bmo h VAL 120 N 0.91 1.07 -0.71 -0.54 2.07 -0.83 0.73 116.25 118.95 3bmo h VAL 120 Ca 0.25 -0.16 0.03 0.00 0.82 0.00 0.00 66.70 67.64 3bmo h VAL 120 Cb -0.10 0.82 -0.05 0.00 -1.52 0.00 0.00 31.29 30.45 3bmo h VAL 120 CO -0.06 0.07 0.44 0.00 0.02 0.00 0.00 177.57 178.04 3bmo h ALA 121 N 1.05 0.93 0.02 1.67 0.00 -0.72 -0.71 119.26 121.49 3bmo h ALA 121 Ca 0.07 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 3bmo h ALA 121 Cb 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.58 3bmo h ALA 121 CO -0.01 0.20 -0.01 0.93 0.00 0.00 0.00 179.25 180.36 3bmo h GLU 122 N 0.85 -0.03 -0.12 0.00 5.08 -0.76 -0.44 114.58 119.16 3bmo h GLU 122 Ca 0.29 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.54 3bmo h GLU 122 Cb 0.05 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.30 3bmo h GLU 122 CO -0.12 0.64 -0.37 -0.07 -1.00 0.00 0.00 179.01 178.09 3bmo h LEU 123 N -0.74 0.53 -0.02 1.33 3.38 -0.78 -1.27 115.31 117.73 3bmo h LEU 123 Ca -0.00 -0.61 -0.25 0.00 0.09 0.00 0.00 57.88 57.11 3bmo h LEU 123 Cb 0.68 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.28 3bmo h LEU 123 CO 0.00 1.04 -1.10 0.40 0.09 0.00 0.00 178.44 178.87 3bmo h ILE 124 N 0.04 1.44 0.76 1.22 1.08 -1.30 -2.94 117.51 117.81 3bmo h ILE 124 Ca -0.01 -2.74 -0.04 0.00 -0.39 0.00 0.00 64.86 61.68 3bmo h ILE 124 Cb 0.99 2.69 0.01 0.00 -3.07 0.00 0.00 36.82 37.44 3bmo h ILE 124 CO 0.08 0.81 -0.36 1.23 -0.69 0.00 0.00 178.15 179.21 3bmo h GLY 125 N 1.35 -1.06 0.95 5.37 0.00 -1.24 -0.22 103.07 108.23 3bmo h GLY 125 Ca -0.11 0.39 -0.02 0.00 0.00 0.00 0.00 47.33 47.59 3bmo h GLY 125 CO 0.19 -0.39 0.18 -0.91 0.00 0.00 0.00 176.54 175.61 3bmo h THR 126 N -1.03 1.20 0.00 4.70 1.35 -1.17 0.21 112.91 118.16 3bmo h THR 126 Ca -0.10 -0.60 0.00 0.00 -0.55 0.00 0.00 66.41 65.16 3bmo h THR 126 Cb 0.78 0.80 0.00 0.00 -1.73 0.00 0.00 68.15 68.00 3bmo h THR 126 CO 0.17 0.22 -0.26 0.78 -0.25 0.00 0.00 175.52 176.19 3bmo h ASN 127 N 0.55 0.00 0.00 5.36 2.35 -1.57 -3.40 115.58 118.86 3bmo h ASN 127 Ca 0.14 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.89 3bmo h ASN 127 Cb 0.18 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.55 3bmo h ASN 127 CO -0.01 0.00 -0.04 0.00 -1.65 0.00 0.00 177.43 175.73 3bmo n ALA 128 N -2.09 3.00 -0.06 -0.83 0.00 -0.44 -4.44 120.51 115.66 3bmo n ALA 128 Ca 0.03 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.33 3bmo n ALA 128 Cb 0.53 0.03 -0.07 0.00 0.00 0.00 0.00 19.45 19.93 3bmo n ALA 128 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 3bmo h ILE 129 N 0.00 1.35 -0.19 0.00 2.04 -0.85 -1.57 117.51 118.29 3bmo h ILE 129 Ca 0.00 -1.45 -0.00 0.00 1.00 0.00 0.00 64.86 64.41 3bmo h ILE 129 Cb 0.04 1.92 -0.01 0.00 -0.74 0.00 0.00 36.82 38.03 3bmo h ILE 129 CO 0.00 0.43 0.11 0.00 0.00 0.00 0.00 178.15 178.70 3bmo h ALA 130 N 0.59 0.24 -0.94 1.87 0.00 -0.82 -0.30 119.26 119.90 3bmo h ALA 130 Ca 0.02 -0.04 0.18 0.00 0.00 0.00 0.00 54.91 55.07 3bmo h ALA 130 Cb 0.80 -0.08 -0.11 0.00 0.00 0.00 0.00 17.79 18.41 3bmo h ALA 130 CO 0.05 -0.24 0.52 -1.35 0.00 0.00 0.00 179.25 178.23 3bmo h PRO 131 N 0.22 0.64 -0.05 0.00 0.11 -1.75 0.13 132.00 131.29 3bmo h PRO 131 Ca 0.07 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 66.14 3bmo h PRO 131 Cb 0.03 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 31.00 3bmo h PRO 131 CO -0.01 0.42 0.03 0.35 -0.21 0.00 0.00 178.00 178.58 3bmo h PHE 132 N 0.65 0.07 -0.50 0.65 3.57 -0.59 0.29 116.94 121.09 3bmo h PHE 132 Ca 0.54 -0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.93 3bmo h PHE 132 Cb 0.86 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.56 3bmo h PHE 132 CO -0.05 0.11 -0.13 -0.07 -2.23 0.00 0.00 178.31 175.93 3bmo h LEU 133 N 0.02 0.95 -0.99 0.59 3.38 -0.52 -0.93 115.31 117.82 3bmo h LEU 133 Ca 0.02 -0.32 -0.08 0.00 0.09 0.00 0.00 57.88 57.60 3bmo h LEU 133 Cb 0.05 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 3bmo h LEU 133 CO -0.00 1.08 -0.09 -0.07 0.09 0.00 0.00 178.44 179.45 3bmo h LEU 134 N 0.84 0.62 -0.37 1.67 3.38 -0.71 -0.46 115.31 120.29 3bmo h LEU 134 Ca 0.13 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 3bmo h LEU 134 Cb 0.68 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.25 3bmo h LEU 134 CO 0.05 0.74 0.21 0.74 0.09 0.00 0.00 178.44 180.27 3bmo h THR 135 N 0.59 1.13 0.13 0.22 2.02 -0.60 0.26 112.91 116.65 3bmo h THR 135 Ca 0.11 -0.33 0.00 0.00 0.77 0.00 0.00 66.41 66.96 3bmo h THR 135 Cb 0.50 0.69 -0.01 0.00 -1.74 0.00 0.00 68.15 67.59 3bmo h THR 135 CO 0.03 0.14 -0.13 0.24 0.37 0.00 0.00 175.52 176.17 3bmo h MET 136 N 0.47 -0.27 -0.64 6.66 2.86 -0.79 -0.68 114.93 122.54 3bmo h MET 136 Ca 0.13 0.02 -0.08 0.00 -2.06 0.00 0.00 59.70 57.71 3bmo h MET 136 Cb 0.03 0.06 -0.03 0.00 0.06 0.00 0.00 31.60 31.73 3bmo h MET 136 CO -0.02 -0.18 0.09 0.77 1.06 0.00 0.00 176.91 178.63 3bmo h SER 137 N -0.28 1.02 -0.24 1.22 0.02 -0.90 -0.07 113.55 114.31 3bmo h SER 137 Ca 0.01 -0.24 0.03 0.00 -0.84 0.00 0.00 61.79 60.74 3bmo h SER 137 Cb 0.27 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 62.51 3bmo h SER 137 CO -0.04 1.02 0.07 0.15 -1.14 0.00 0.00 176.83 176.89 3bmo h PHE 138 N 0.99 0.11 -0.40 3.45 3.04 -0.31 -1.63 116.94 122.19 3bmo h PHE 138 Ca 0.20 0.01 -0.12 0.00 3.98 0.00 0.00 57.97 62.04 3bmo h PHE 138 Cb 0.44 -0.02 -0.01 0.00 2.56 0.00 0.00 35.95 38.93 3bmo h PHE 138 CO 0.03 0.05 -0.23 0.00 -2.02 0.00 0.00 178.31 176.14 3bmo h ALA 139 N 1.16 0.57 -0.07 2.41 0.00 -0.87 -3.11 119.26 119.36 3bmo h ALA 139 Ca 0.11 -0.38 -0.12 0.00 0.00 0.00 0.00 54.91 54.51 3bmo h ALA 139 Cb 0.09 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3bmo h ALA 139 CO -0.13 0.55 -0.51 1.96 0.00 0.00 0.00 179.25 181.13 3bmo h GLN 140 N 0.67 0.18 0.00 0.00 4.20 -0.88 -2.58 115.11 116.70 3bmo h GLN 140 Ca 0.09 -0.10 0.00 0.00 0.06 0.00 0.00 58.65 58.69 3bmo h GLN 140 Cb 0.79 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.58 3bmo h GLN 140 CO 0.07 0.65 0.00 0.00 -0.67 0.00 0.00 178.83 178.87 3bmo h ARG 141 N 0.14 0.00 0.00 1.46 2.47 -1.24 -2.56 114.38 114.65 3bmo h ARG 141 Ca 0.00 0.00 -0.12 0.00 -1.26 0.00 0.00 59.98 58.60 3bmo h ARG 141 Cb 0.95 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 29.25 3bmo h ARG 141 CO 0.08 0.00 -0.59 1.96 0.56 0.00 0.00 179.97 181.98 3bmo h GLN 142 N 0.00 0.00 -0.96 0.04 1.08 -1.39 -3.29 115.11 110.59 3bmo h GLN 142 Ca 0.00 0.00 0.25 0.00 -1.45 0.00 0.00 58.65 57.45 3bmo h GLN 142 Cb 0.61 0.00 -0.06 0.00 -0.05 0.00 0.00 27.48 27.98 3bmo h GLN 142 CO 0.00 0.59 0.65 0.87 -0.95 0.00 0.00 178.83 179.99 3bmo h LYS 143 N 0.00 0.26 -4.32 1.46 1.57 -1.47 -2.14 116.57 111.92 3bmo h LYS 143 Ca -0.01 -0.02 -0.75 0.00 -1.87 0.00 0.00 60.65 58.01 3bmo h LYS 143 Cb 1.17 -0.06 -0.23 0.00 0.08 0.00 0.00 32.23 33.20 3bmo h LYS 143 CO 0.08 0.17 0.41 0.20 -0.57 0.00 0.00 179.45 179.74 3bmo s GLY 144 N -3.90 2.37 0.00 3.86 0.00 -1.24 -5.18 107.32 103.23 3bmo s GLY 144 Ca -0.07 -3.11 0.00 0.00 0.00 0.00 0.00 44.72 41.54 3bmo s GLY 144 CO 0.79 1.57 0.00 2.41 0.00 0.00 0.00 173.10 177.87 3bmo n THR 145 N 4.58 0.00 -0.09 0.90 -1.04 -0.81 -5.02 114.28 112.80 3bmo n THR 145 Ca 0.18 0.00 -0.23 0.00 -2.04 0.00 0.00 64.05 61.96 3bmo n THR 145 Cb 0.48 0.00 -0.12 0.00 -1.82 0.00 0.00 70.33 68.87 3bmo n THR 145 CO 0.00 0.00 0.00 1.07 -0.64 0.00 0.00 175.07 175.50 3bmo n THR 150 N 0.00 1.58 0.70 12.58 5.66 -1.26 -5.18 114.28 128.37 3bmo n THR 150 Ca 0.00 -0.37 0.07 0.00 -3.05 0.00 0.00 64.05 60.70 3bmo n THR 150 Cb 0.00 -1.82 0.36 0.00 -1.55 0.00 0.00 70.33 67.32 3bmo n THR 150 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 3bmo n SER 151 N -3.96 0.00 -4.73 1.09 3.41 -1.26 -4.80 113.62 103.38 3bmo n SER 151 Ca -0.41 -0.07 -0.35 0.00 -0.26 0.00 0.00 58.87 57.78 3bmo n SER 151 Cb 0.88 -0.19 0.08 0.00 -0.26 0.00 0.00 64.21 64.71 3bmo n SER 151 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3bmo s SER 152 N -2.39 4.39 -0.42 4.04 0.15 -1.26 -4.99 113.70 113.22 3bmo s SER 152 Ca 0.15 2.48 0.04 0.00 0.70 0.00 0.00 55.95 59.32 3bmo s SER 152 Cb 0.09 -2.60 0.17 0.00 -1.71 0.00 0.00 66.02 61.97 3bmo s SER 152 CO 0.19 -2.14 0.39 0.21 1.20 0.00 0.00 173.24 173.10 3bmo s ASN 153 N -1.72 1.07 -0.02 5.45 2.47 -1.26 -5.12 114.94 115.82 3bmo s ASN 153 Ca 0.78 -2.54 -0.22 0.00 0.42 0.00 0.00 52.86 51.30 3bmo s ASN 153 Cb -0.33 0.09 -0.05 0.00 -1.45 0.00 0.00 41.25 39.52 3bmo s ASN 153 CO 0.42 -0.18 0.63 -0.76 -3.72 0.00 0.00 177.10 173.49 3bmo s LEU 154 N 0.50 4.39 0.20 3.21 1.43 -1.26 -4.82 118.68 122.33 3bmo s LEU 154 Ca 0.29 1.18 -0.22 0.00 -1.03 0.00 0.00 54.13 54.35 3bmo s LEU 154 Cb -0.03 -2.98 0.05 0.00 0.03 0.00 0.00 46.19 43.26 3bmo s LEU 154 CO -0.13 0.04 0.62 -0.94 0.23 0.00 0.00 176.35 176.18 3bmo s SER 155 N 0.06 -0.43 -0.05 2.29 1.04 -0.56 -1.96 113.70 114.10 3bmo s SER 155 Ca 0.33 -0.25 0.05 0.00 0.48 0.00 0.00 55.95 56.56 3bmo s SER 155 Cb -0.18 0.63 -0.01 0.00 0.10 0.00 0.00 66.02 66.56 3bmo s SER 155 CO 0.18 -1.09 -0.19 -0.63 0.98 0.00 0.00 173.24 172.49 3bmo s ILE 156 N -3.82 1.59 -0.14 -1.02 1.01 0.16 -1.98 121.20 117.01 3bmo s ILE 156 Ca 0.05 -0.81 0.01 0.00 0.00 0.00 0.00 60.65 59.90 3bmo s ILE 156 Cb -0.02 -1.36 0.02 0.00 0.01 0.00 0.00 42.46 41.10 3bmo s ILE 156 CO -0.06 0.45 -0.15 -0.69 0.00 0.00 0.00 174.94 174.49 3bmo s VAL 157 N -0.04 1.62 -0.21 2.92 1.01 -0.22 -1.25 120.40 124.23 3bmo s VAL 157 Ca -0.03 -0.68 -0.12 0.00 0.00 0.00 0.00 61.98 61.15 3bmo s VAL 157 Cb -0.12 -1.50 -0.05 0.00 0.00 0.00 0.00 36.38 34.71 3bmo s VAL 157 CO 0.02 0.47 0.22 0.20 0.00 0.00 0.00 175.10 176.01 3bmo s ASN 158 N 1.33 6.25 -0.50 3.32 0.01 0.16 -0.77 114.94 124.74 3bmo s ASN 158 Ca 0.02 0.28 -0.29 0.00 -0.71 0.00 0.00 52.86 52.16 3bmo s ASN 158 Cb -0.13 -2.14 0.03 0.00 0.41 0.00 0.00 41.25 39.42 3bmo s ASN 158 CO -0.08 0.07 1.13 -0.76 -1.51 0.00 0.00 177.10 175.95 3bmo s LEU 159 N 0.83 3.63 0.00 0.60 2.01 -0.36 -1.32 118.68 124.08 3bmo s LEU 159 Ca 0.11 0.36 0.00 0.00 0.01 0.00 0.00 54.13 54.61 3bmo s LEU 159 Cb -0.13 -3.44 0.00 0.00 0.01 0.00 0.00 46.19 42.63 3bmo s LEU 159 CO 0.03 -1.29 0.00 0.00 1.01 0.00 0.00 176.35 176.11 3bmo s ASP 161 N -0.88 -1.20 0.36 0.00 -1.08 -1.26 -4.27 116.67 108.35 3bmo s ASP 161 Ca 0.00 1.19 0.26 0.00 -0.52 0.00 0.00 52.55 53.47 3bmo s ASP 161 Cb 0.00 2.18 1.29 0.00 -1.46 0.00 0.00 42.92 44.93 3bmo s ASP 161 CO 0.00 -0.24 1.78 0.00 0.52 0.00 0.00 175.17 177.23 3bmo h ALA 162 N 8.01 1.00 -0.66 3.66 0.00 -0.90 -2.94 119.26 127.43 3bmo h ALA 162 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.71 3bmo h ALA 162 Cb 1.13 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.92 3bmo h ALA 162 CO 0.18 0.00 0.00 -1.33 0.00 0.00 0.00 179.25 178.10 3bmo n MET 163 N -2.41 3.71 0.08 0.00 2.81 -1.26 -4.59 117.12 115.46 3bmo n MET 163 Ca -0.01 -2.87 0.13 0.00 -1.81 0.00 0.00 57.70 53.15 3bmo n MET 163 Cb 0.11 -1.89 0.61 0.00 -0.71 0.00 0.00 33.22 31.33 3bmo n MET 163 CO 0.00 0.00 0.00 -0.39 1.51 0.00 0.00 175.97 177.09 3bmo h VAL 164 N 4.13 0.90 -0.01 2.03 -1.51 -1.92 -0.86 116.25 119.01 3bmo h VAL 164 Ca 0.00 -0.04 0.00 0.00 -1.23 0.00 0.00 66.70 65.43 3bmo h VAL 164 Cb 1.44 0.76 0.00 0.00 -2.13 0.00 0.00 31.29 31.36 3bmo h VAL 164 CO 0.23 0.02 -0.23 0.47 -1.23 0.00 0.00 177.57 176.83 3bmo n ASP 165 N -4.46 1.24 -3.20 4.19 8.00 -1.26 -4.29 116.55 116.76 3bmo n ASP 165 Ca 0.04 -1.07 -0.23 0.00 0.71 0.00 0.00 54.79 54.25 3bmo n ASP 165 Cb 0.32 0.14 -0.06 0.00 -0.02 0.00 0.00 41.12 41.51 3bmo n ASP 165 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3bmo n GLN 166 N -0.41 1.27 -1.60 -1.24 6.02 -0.35 -5.14 117.38 115.93 3bmo n GLN 166 Ca 0.13 -3.62 -0.30 0.00 -0.01 0.00 0.00 57.00 53.20 3bmo n GLN 166 Cb 0.37 -1.61 0.07 0.00 1.02 0.00 0.00 30.24 30.09 3bmo n GLN 166 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 3bmo s PRO 167 N -1.98 2.41 0.30 -1.09 0.04 -1.05 -4.88 135.00 128.75 3bmo s PRO 167 Ca 0.39 0.70 -0.29 0.00 0.04 0.00 0.00 61.00 61.83 3bmo s PRO 167 Cb 0.24 -1.95 -0.11 0.00 0.04 0.00 0.00 34.50 32.72 3bmo s PRO 167 CO -0.09 -1.41 1.46 0.00 0.04 0.00 0.00 177.00 177.00 3bmo n MET 169 N 1.62 2.47 -1.27 0.00 1.56 -1.26 -2.72 117.12 117.53 3bmo n MET 169 Ca 0.05 0.88 -0.08 0.00 -0.27 0.00 0.00 57.70 58.27 3bmo n MET 169 Cb 0.40 -2.65 -0.03 0.00 2.15 0.00 0.00 33.22 33.08 3bmo n MET 169 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 3bmo n ALA 170 N 2.67 -0.13 -1.72 -5.12 0.00 -1.26 -4.94 120.51 110.01 3bmo n ALA 170 Ca 0.12 0.13 -0.29 0.00 0.00 0.00 0.00 53.44 53.40 3bmo n ALA 170 Cb 0.34 -1.13 0.05 0.00 0.00 0.00 0.00 19.45 18.71 3bmo n ALA 170 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3bmo n PHE 171 N -2.79 2.98 -0.01 0.00 3.01 -1.10 -0.07 117.46 119.48 3bmo n PHE 171 Ca -0.08 -2.60 -0.10 0.00 1.01 0.00 0.00 57.45 55.67 3bmo n PHE 171 Cb 0.28 -0.84 -0.04 0.00 -0.01 0.00 0.00 39.48 38.87 3bmo n PHE 171 CO 0.00 0.00 0.00 0.77 1.01 0.00 0.00 176.76 178.54 3bmo h SER 172 N 2.12 -1.03 -0.53 4.37 0.02 -1.84 -0.36 113.55 116.30 3bmo h SER 172 Ca 0.48 0.15 -0.08 0.00 -0.84 0.00 0.00 61.79 61.50 3bmo h SER 172 Cb 1.18 0.44 -0.02 0.00 0.14 0.00 0.00 62.40 64.14 3bmo h SER 172 CO 1.14 -0.36 0.03 -0.07 -1.14 0.00 0.00 176.83 176.44 3bmo h LEU 173 N -0.39 0.89 -0.21 5.07 3.38 -1.89 0.88 115.31 123.03 3bmo h LEU 173 Ca 0.10 -0.29 0.03 0.00 0.09 0.00 0.00 57.88 57.81 3bmo h LEU 173 Cb 0.55 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.04 3bmo h LEU 173 CO -0.37 0.96 0.03 0.22 0.09 0.00 0.00 178.44 179.37 3bmo h TYR 174 N 0.79 0.05 -0.45 1.13 3.20 -1.79 -0.47 116.97 119.43 3bmo h TYR 174 Ca 0.15 0.01 -0.08 0.00 3.14 0.00 0.00 58.73 61.95 3bmo h TYR 174 Cb 0.48 0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.74 3bmo h TYR 174 CO 0.04 0.01 -0.06 -0.91 -1.64 0.00 0.00 178.16 175.60 3bmo h ASN 175 N 0.11 0.76 -0.86 -2.11 4.21 -0.65 -0.95 115.58 116.09 3bmo h ASN 175 Ca 0.10 -0.21 0.05 0.00 1.21 0.00 0.00 56.30 57.45 3bmo h ASN 175 Cb 0.10 -0.20 -0.06 0.00 -1.12 0.00 0.00 38.32 37.03 3bmo h ASN 175 CO -0.13 0.87 0.54 0.24 -1.29 0.00 0.00 177.43 177.65 3bmo h MET 176 N 0.72 0.97 -0.43 0.81 2.86 -0.53 0.49 114.93 119.82 3bmo h MET 176 Ca 0.13 -0.06 -0.02 0.00 -2.06 0.00 0.00 59.70 57.69 3bmo h MET 176 Cb 0.53 -0.22 -0.02 0.00 0.06 0.00 0.00 31.60 31.95 3bmo h MET 176 CO 0.03 0.64 0.19 0.78 1.06 0.00 0.00 176.91 179.61 3bmo h GLY 177 N 1.00 0.67 1.47 8.32 0.00 -0.18 -0.05 103.07 114.30 3bmo h GLY 177 Ca 0.37 -0.35 -0.13 0.00 0.00 0.00 0.00 47.33 47.22 3bmo h GLY 177 CO -0.16 0.33 -0.37 0.50 0.00 0.00 0.00 176.54 176.84 3bmo h LYS 178 N 0.55 0.59 -0.63 4.80 1.79 -0.87 -0.60 116.57 122.20 3bmo h LYS 178 Ca 0.14 -0.28 -0.01 0.00 -2.18 0.00 0.00 60.65 58.32 3bmo h LYS 178 Cb 0.15 -0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.77 3bmo h LYS 178 CO -0.02 0.87 0.36 0.45 -1.08 0.00 0.00 179.45 180.03 3bmo h HIS 179 N 0.49 0.86 -0.83 -1.35 3.86 -0.72 -1.99 115.15 115.47 3bmo h HIS 179 Ca 0.05 -0.01 0.05 0.00 -1.16 0.00 0.00 60.37 59.30 3bmo h HIS 179 Cb 0.86 -0.28 -0.05 0.00 1.06 0.00 0.00 27.41 29.01 3bmo h HIS 179 CO 0.04 0.60 0.54 0.00 0.86 0.00 0.00 177.93 179.97 3bmo h ALA 180 N 1.18 1.54 -0.31 2.45 0.00 -0.62 -1.79 119.26 121.70 3bmo h ALA 180 Ca 0.22 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.04 3bmo h ALA 180 Cb 0.01 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 3bmo h ALA 180 CO -0.04 0.35 -0.08 1.25 0.00 0.00 0.00 179.25 180.73 3bmo h LEU 181 N 0.97 0.49 -0.19 0.00 5.85 -0.56 0.18 115.31 122.05 3bmo h LEU 181 Ca 0.34 -0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.95 3bmo h LEU 181 Cb 0.13 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 3bmo h LEU 181 CO -0.11 0.62 0.12 0.58 -0.34 0.00 0.00 178.44 179.30 3bmo h VAL 182 N 0.48 1.07 -0.64 1.05 2.07 -0.64 -0.47 116.25 119.17 3bmo h VAL 182 Ca 0.09 -0.15 0.04 0.00 0.82 0.00 0.00 66.70 67.50 3bmo h VAL 182 Cb 0.44 0.83 -0.04 0.00 -1.52 0.00 0.00 31.29 31.00 3bmo h VAL 182 CO 0.02 0.06 0.38 1.23 0.02 0.00 0.00 177.57 179.29 3bmo h GLY 183 N 0.24 0.92 0.97 2.17 0.00 -0.66 -1.80 103.07 104.90 3bmo h GLY 183 Ca 0.07 -0.28 -0.01 0.00 0.00 0.00 0.00 47.33 47.11 3bmo h GLY 183 CO -0.01 0.22 0.22 -2.00 0.00 0.00 0.00 176.54 174.97 3bmo h LEU 184 N 0.74 0.50 -0.52 3.11 5.85 -0.52 0.11 115.31 124.58 3bmo h LEU 184 Ca 0.26 -0.09 0.10 0.00 0.84 0.00 0.00 57.88 58.99 3bmo h LEU 184 Cb 0.06 -0.13 -0.08 0.00 0.37 0.00 0.00 40.66 40.88 3bmo h LEU 184 CO -0.12 0.45 0.01 0.74 -0.34 0.00 0.00 178.44 179.18 3bmo h THR 185 N 0.51 0.60 0.08 1.05 2.02 -0.48 0.13 112.91 116.83 3bmo h THR 185 Ca 0.14 -0.04 -0.00 0.00 0.77 0.00 0.00 66.41 67.27 3bmo h THR 185 Cb 0.06 0.46 0.00 0.00 -1.74 0.00 0.00 68.15 66.94 3bmo h THR 185 CO -0.02 0.02 -0.04 1.56 0.37 0.00 0.00 175.52 177.41 3bmo h GLN 186 N 0.12 -0.10 -0.73 6.66 4.20 -1.13 -1.27 115.11 122.86 3bmo h GLN 186 Ca 0.26 0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.98 3bmo h GLN 186 Cb 0.40 0.02 -0.04 0.00 0.30 0.00 0.00 27.48 28.16 3bmo h GLN 186 CO -0.43 0.30 0.46 0.77 -0.67 0.00 0.00 178.83 179.26 3bmo h SER 187 N -0.53 0.86 0.16 1.46 0.02 -0.60 -1.61 113.55 113.30 3bmo h SER 187 Ca -0.01 -0.04 -0.19 0.00 -0.84 0.00 0.00 61.79 60.70 3bmo h SER 187 Cb 0.45 -0.22 -0.00 0.00 0.14 0.00 0.00 62.40 62.77 3bmo h SER 187 CO 0.02 0.65 -0.73 0.00 -1.14 0.00 0.00 176.83 175.63 3bmo h ALA 188 N 1.25 0.54 -0.28 3.77 0.00 -0.80 -1.62 119.26 122.12 3bmo h ALA 188 Ca 0.26 -0.60 0.03 0.00 0.00 0.00 0.00 54.91 54.61 3bmo h ALA 188 Cb -0.07 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 3bmo h ALA 188 CO -0.05 0.74 0.09 0.00 0.00 0.00 0.00 179.25 180.03 3bmo h ALA 189 N 0.86 0.32 -0.36 0.00 0.00 -0.98 -0.24 119.26 118.85 3bmo h ALA 189 Ca -0.03 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3bmo h ALA 189 Cb 1.31 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.10 3bmo h ALA 189 CO 0.13 -0.31 0.23 1.25 0.00 0.00 0.00 179.25 180.55 3bmo h LEU 190 N 0.22 0.42 0.00 0.00 5.85 -1.14 -2.49 115.31 118.17 3bmo h LEU 190 Ca 0.13 -0.03 -0.20 0.00 0.84 0.00 0.00 57.88 58.62 3bmo h LEU 190 Cb 0.10 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 40.99 3bmo h LEU 190 CO -0.13 0.32 -1.00 -0.08 -0.34 0.00 0.00 178.44 177.21 3bmo h GLU 191 N 0.48 0.00 0.00 1.25 4.81 -1.10 -3.31 114.58 116.71 3bmo h GLU 191 Ca 0.13 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.36 3bmo h GLU 191 Cb -0.03 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.35 3bmo h GLU 191 CO -0.03 0.90 -0.90 1.28 -0.73 0.00 0.00 179.01 179.53 3bmo n LEU 192 N -3.31 0.64 -0.24 1.64 4.77 -0.12 -4.32 117.00 116.06 3bmo n LEU 192 Ca -0.01 -0.06 0.05 0.00 -0.03 0.00 0.00 56.01 55.96 3bmo n LEU 192 Cb 0.92 -0.12 0.17 0.00 -2.33 0.00 0.00 43.42 42.07 3bmo n LEU 192 CO 0.46 0.08 0.92 0.00 -1.33 0.00 0.00 177.39 177.52 3bmo h ALA 193 N 2.69 0.91 0.00 -1.18 0.00 -1.52 -0.65 119.26 119.51 3bmo h ALA 193 Ca 0.00 0.17 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 3bmo h ALA 193 Cb 0.66 0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.69 3bmo h ALA 193 CO 0.00 -0.35 -0.01 -1.35 0.00 0.00 0.00 179.25 177.54 3bmo h PRO 194 N 0.25 0.00 -0.10 0.00 0.11 -1.80 -0.68 132.00 129.78 3bmo h PRO 194 Ca 0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.52 3bmo h PRO 194 Cb 0.69 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.80 3bmo h PRO 194 CO -0.52 0.01 0.00 0.66 -0.21 0.00 0.00 178.00 177.94 3bmo n TYR 195 N -3.49 0.11 -1.47 0.65 4.02 -0.28 -4.94 117.16 111.77 3bmo n TYR 195 Ca -0.03 -0.06 -0.07 0.00 -0.01 0.00 0.00 57.90 57.74 3bmo n TYR 195 Cb 0.09 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.39 3bmo n TYR 195 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3bmo n GLY 196 N 1.16 0.66 3.42 2.72 0.00 -0.26 -5.00 105.19 107.88 3bmo n GLY 196 Ca 0.18 -0.71 -0.37 0.00 0.00 0.00 0.00 46.02 45.12 3bmo n GLY 196 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3bmo s ILE 197 N -2.27 4.19 0.27 -0.61 1.01 -1.04 -4.15 121.20 118.60 3bmo s ILE 197 Ca 0.00 -0.31 -0.14 0.00 0.00 0.00 0.00 60.65 60.20 3bmo s ILE 197 Cb 0.00 -3.01 -0.08 0.00 0.01 0.00 0.00 42.46 39.38 3bmo s ILE 197 CO 0.00 0.28 0.66 -0.13 0.00 0.00 0.00 174.94 175.75 3bmo s ARG 198 N 1.58 3.95 -0.10 2.79 0.52 -0.83 -3.71 118.95 123.15 3bmo s ARG 198 Ca 0.06 0.54 -0.03 0.00 -0.52 0.00 0.00 55.73 55.78 3bmo s ARG 198 Cb -0.16 -2.57 0.04 0.00 0.52 0.00 0.00 34.95 32.79 3bmo s ARG 198 CO 0.03 0.25 0.06 0.08 0.02 0.00 0.00 175.30 175.74 3bmo s VAL 199 N -1.86 0.02 0.29 3.52 1.01 -1.26 -0.67 120.40 121.46 3bmo s VAL 199 Ca 0.50 0.10 0.03 0.00 0.00 0.00 0.00 61.98 62.61 3bmo s VAL 199 Cb -0.11 -0.42 -0.04 0.00 0.00 0.00 0.00 36.38 35.80 3bmo s VAL 199 CO 0.19 -0.00 0.16 0.20 0.00 0.00 0.00 175.10 175.65 3bmo s ASN 200 N 2.11 1.42 0.09 3.32 0.01 -0.38 0.19 114.94 121.70 3bmo s ASN 200 Ca 0.03 -1.55 0.04 0.00 -0.71 0.00 0.00 52.86 50.68 3bmo s ASN 200 Cb -0.14 0.38 -0.03 0.00 0.41 0.00 0.00 41.25 41.87 3bmo s ASN 200 CO -0.06 -0.88 -0.11 -0.83 -1.51 0.00 0.00 177.10 173.71 3bmo s GLY 201 N -3.35 0.85 -0.11 0.66 0.00 0.57 -0.66 107.32 105.27 3bmo s GLY 201 Ca 0.36 -1.12 0.03 0.00 0.00 0.00 0.00 44.72 43.99 3bmo s GLY 201 CO 0.17 -1.18 -0.20 0.14 0.00 0.00 0.00 173.10 172.03 3bmo s VAL 202 N -2.06 1.83 -0.49 1.40 1.01 -0.43 -0.90 120.40 120.75 3bmo s VAL 202 Ca 0.03 -0.86 0.01 0.00 0.00 0.00 0.00 61.98 61.16 3bmo s VAL 202 Cb -0.05 -1.61 0.13 0.00 0.00 0.00 0.00 36.38 34.84 3bmo s VAL 202 CO 0.01 0.51 0.25 0.00 0.00 0.00 0.00 175.10 175.87 3bmo s ALA 203 N 0.63 3.27 0.75 5.51 0.00 0.08 -0.60 121.76 131.41 3bmo s ALA 203 Ca -0.13 -3.02 -0.13 0.00 0.00 0.00 0.00 51.96 48.68 3bmo s ALA 203 Cb -0.16 -2.28 0.05 0.00 0.00 0.00 0.00 23.12 20.73 3bmo s ALA 203 CO 0.03 -1.94 1.15 -2.14 0.00 0.00 0.00 175.76 172.86 3bmo s PRO 204 N 0.21 2.12 0.00 0.00 0.02 -1.26 -1.25 135.00 134.83 3bmo s PRO 204 Ca 0.15 1.51 0.00 0.00 0.02 0.00 0.00 61.00 62.68 3bmo s PRO 204 Cb -0.23 -1.86 0.00 0.00 0.02 0.00 0.00 34.50 32.44 3bmo s PRO 204 CO -0.03 -1.80 0.00 0.41 -0.33 0.00 0.00 177.00 175.25 3bmo n GLY 205 N -0.18 0.34 3.44 0.52 0.00 -1.16 -0.47 105.19 107.68 3bmo n GLY 205 Ca 0.11 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.76 3bmo n GLY 205 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3bmo s VAL 206 N 0.45 4.38 0.00 1.61 1.01 -1.26 -4.84 120.40 121.74 3bmo s VAL 206 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 61.98 61.68 3bmo s VAL 206 Cb 0.00 -3.13 0.00 0.00 0.00 0.00 0.00 36.38 33.25 3bmo s VAL 206 CO 0.00 0.23 0.00 -0.24 0.00 0.00 0.00 175.10 175.09 3bmo n SER 207 N 4.94 0.00 -4.66 3.32 2.88 -1.26 -1.00 113.62 117.83 3bmo n SER 207 Ca -0.15 0.00 -0.44 0.00 -1.33 0.00 0.00 58.87 56.94 3bmo n SER 207 Cb 0.50 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.93 3bmo n SER 207 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 3bmo n LEU 208 N 0.00 3.84 -4.81 2.46 4.77 -1.24 -4.59 117.00 117.44 3bmo n LEU 208 Ca 0.00 0.86 -0.31 0.00 -0.03 0.00 0.00 56.01 56.53 3bmo n LEU 208 Cb 0.00 -1.48 0.06 0.00 -2.33 0.00 0.00 43.42 39.68 3bmo n LEU 208 CO 0.00 0.04 0.71 -0.76 -1.33 0.00 0.00 177.39 176.05 3bmo s LEU 209 N 4.71 3.02 0.42 2.23 2.01 -1.26 -4.96 118.68 124.84 3bmo s LEU 209 Ca 0.92 1.60 -0.26 0.00 0.01 0.00 0.00 54.13 56.40 3bmo s LEU 209 Cb -0.52 -4.40 -0.10 0.00 0.01 0.00 0.00 46.19 41.18 3bmo s LEU 209 CO 0.45 -1.64 1.32 -2.65 1.01 0.00 0.00 176.35 174.83 3bmo n PRO 210 N -3.25 2.05 -0.13 1.29 -0.02 -1.26 -4.87 135.00 128.80 3bmo n PRO 210 Ca 0.08 0.73 0.02 0.00 -2.02 0.00 0.00 63.50 62.31 3bmo n PRO 210 Cb 0.54 -2.44 0.32 0.00 -0.02 0.00 0.00 33.50 31.90 3bmo n PRO 210 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 3bmo h VAL 211 N 2.21 1.15 -0.01 -1.45 -1.51 -2.04 -1.81 116.25 112.79 3bmo h VAL 211 Ca -0.48 -0.28 0.00 0.00 -1.23 0.00 0.00 66.70 64.70 3bmo h VAL 211 Cb 1.29 0.26 0.00 0.00 -2.13 0.00 0.00 31.29 30.70 3bmo h VAL 211 CO 0.61 0.15 -0.13 0.00 -1.23 0.00 0.00 177.57 176.97 3bmo n ALA 212 N -2.44 2.81 -2.09 5.19 0.00 -1.26 -4.87 120.51 117.84 3bmo n ALA 212 Ca 0.06 -0.31 -0.41 0.00 0.00 0.00 0.00 53.44 52.79 3bmo n ALA 212 Cb 0.05 -1.29 -0.04 0.00 0.00 0.00 0.00 19.45 18.18 3bmo n ALA 212 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 3bmo s MET 213 N -2.42 4.52 0.65 0.00 0.00 -0.68 -5.01 119.30 116.35 3bmo s MET 213 Ca 0.29 1.81 -0.14 0.00 0.00 0.00 0.00 55.69 57.66 3bmo s MET 213 Cb 0.20 -3.26 -0.01 0.00 0.00 0.00 0.00 34.83 31.76 3bmo s MET 213 CO 0.47 -0.05 1.07 0.20 0.00 0.00 0.00 175.02 176.71 3bmo s GLY 214 N 0.14 1.97 0.28 2.11 0.00 -1.26 -4.84 107.32 105.72 3bmo s GLY 214 Ca 0.52 0.33 -0.02 0.00 0.00 0.00 0.00 44.72 45.55 3bmo s GLY 214 CO 0.35 0.66 1.90 -2.09 0.00 0.00 0.00 173.10 173.92 3bmo h GLU 215 N -0.10 1.01 -0.64 2.90 4.57 -1.99 -0.55 114.58 119.78 3bmo h GLU 215 Ca -0.46 -0.12 0.01 0.00 -1.18 0.00 0.00 59.36 57.61 3bmo h GLU 215 Cb 1.22 -0.19 -0.03 0.00 -0.16 0.00 0.00 28.75 29.59 3bmo h GLU 215 CO 0.56 0.76 0.42 0.93 -1.18 0.00 0.00 179.01 180.50 3bmo h GLU 216 N 1.01 0.83 -0.50 1.92 5.08 -1.99 0.51 114.58 121.44 3bmo h GLU 216 Ca 0.25 -0.05 -0.10 0.00 -1.00 0.00 0.00 59.36 58.46 3bmo h GLU 216 Cb 0.06 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.11 3bmo h GLU 216 CO -0.04 0.55 -0.07 1.49 -1.00 0.00 0.00 179.01 179.94 3bmo h GLU 217 N 0.86 0.93 -0.35 2.33 4.81 -1.78 -1.89 114.58 119.50 3bmo h GLU 217 Ca 0.24 -0.33 0.05 0.00 -0.13 0.00 0.00 59.36 59.19 3bmo h GLU 217 Cb -0.09 -0.06 -0.05 0.00 0.63 0.00 0.00 28.75 29.18 3bmo h GLU 217 CO -0.06 0.99 0.06 0.87 -0.73 0.00 0.00 179.01 180.15 3bmo h LYS 218 N 0.79 0.17 -0.25 1.92 1.57 -0.72 -2.25 116.57 117.80 3bmo h LYS 218 Ca 0.13 -0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 58.86 3bmo h LYS 218 Cb 0.62 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.88 3bmo h LYS 218 CO 0.04 0.11 -0.02 -0.44 -0.57 0.00 0.00 179.45 178.57 3bmo h ASP 219 N 0.18 0.35 -0.72 0.86 3.32 -0.72 -0.41 116.42 119.28 3bmo h ASP 219 Ca 0.17 -0.06 0.06 0.00 0.02 0.00 0.00 57.03 57.21 3bmo h ASP 219 Cb 0.19 -0.09 -0.06 0.00 0.22 0.00 0.00 39.33 39.60 3bmo h ASP 219 CO -0.23 0.43 0.42 0.11 -1.72 0.00 0.00 179.24 178.26 3bmo h LYS 220 N 0.37 0.76 -0.19 3.56 1.57 -0.75 -1.07 116.57 120.83 3bmo h LYS 220 Ca 0.08 -0.05 -0.07 0.00 -1.87 0.00 0.00 60.65 58.74 3bmo h LYS 220 Cb 0.29 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.42 3bmo h LYS 220 CO 0.01 0.50 -0.17 -1.49 -0.57 0.00 0.00 179.45 177.74 3bmo h TRP 221 N 0.79 0.53 -0.65 -1.35 4.06 -1.08 -3.25 115.95 114.99 3bmo h TRP 221 Ca 0.32 -0.15 0.09 0.00 2.06 0.00 0.00 58.89 61.20 3bmo h TRP 221 Cb 0.16 -0.11 -0.07 0.00 -1.00 0.00 0.00 29.16 28.14 3bmo h TRP 221 CO -0.06 0.80 0.30 0.00 -3.56 0.00 0.00 178.44 175.92 3bmo h ARG 222 N 0.11 0.51 0.00 0.49 3.08 -0.81 -1.84 114.38 115.92 3bmo h ARG 222 Ca 0.03 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3bmo h ARG 222 Cb 0.70 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.63 3bmo h ARG 222 CO 0.04 0.34 0.00 2.89 -1.07 0.00 0.00 179.97 182.17 3bmo n ARG 223 N -4.91 0.13 0.17 0.04 -4.01 -0.43 -1.86 116.66 105.79 3bmo n ARG 223 Ca 0.09 0.43 0.05 0.00 -1.04 0.00 0.00 57.85 57.38 3bmo n ARG 223 Cb 0.25 -1.79 0.23 0.00 -3.04 0.00 0.00 32.46 28.11 3bmo n ARG 223 CO 0.00 0.00 0.00 0.87 -3.04 0.00 0.00 177.63 175.46 3bmo h LYS 224 N 0.00 0.00 -6.07 2.89 1.57 -1.39 -3.46 116.57 110.11 3bmo h LYS 224 Ca 0.00 0.00 -0.59 0.00 -1.87 0.00 0.00 60.65 58.19 3bmo h LYS 224 Cb 0.25 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 32.48 3bmo h LYS 224 CO 0.00 0.43 0.64 0.08 -0.57 0.00 0.00 179.45 180.02 3bmo s VAL 225 N -3.36 4.63 0.24 0.50 1.01 -0.78 -4.80 120.40 117.83 3bmo s VAL 225 Ca 0.01 1.45 -0.06 0.00 0.00 0.00 0.00 61.98 63.38 3bmo s VAL 225 Cb 0.10 -4.30 0.22 0.00 0.00 0.00 0.00 36.38 32.39 3bmo s VAL 225 CO 0.71 -0.40 1.89 -0.65 0.00 0.00 0.00 175.10 176.64 3bmo h PRO 226 N 8.15 1.09 -5.16 2.72 0.11 -1.82 -1.70 132.00 135.39 3bmo h PRO 226 Ca -0.22 -0.07 -0.69 0.00 0.11 0.00 0.00 66.00 65.13 3bmo h PRO 226 Cb 1.08 -0.25 -0.16 0.00 0.11 0.00 0.00 31.00 31.78 3bmo h PRO 226 CO 0.97 0.72 1.13 -1.17 -0.21 0.00 0.00 178.00 179.44 3bmo s LEU 227 N -10.16 4.77 0.00 2.35 2.96 -0.39 -4.25 118.68 113.96 3bmo s LEU 227 Ca -0.13 -2.21 0.00 0.00 -0.22 0.00 0.00 54.13 51.57 3bmo s LEU 227 Cb 0.18 -2.43 0.00 0.00 0.50 0.00 0.00 46.19 44.43 3bmo s LEU 227 CO 0.80 -1.06 0.00 0.61 -1.32 0.00 0.00 176.35 175.38 3bmo n GLY 228 N 5.36 0.67 3.94 7.98 0.00 -1.26 -4.41 105.19 117.47 3bmo n GLY 228 Ca 0.30 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.04 3bmo n GLY 228 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3bmo n ARG 229 N -2.00 -4.04 -3.50 1.61 5.12 -0.64 -4.94 116.66 108.27 3bmo n ARG 229 Ca 0.00 0.48 -0.12 0.00 -1.93 0.00 0.00 57.85 56.28 3bmo n ARG 229 Cb 0.00 -4.95 -0.03 0.00 -1.16 0.00 0.00 32.46 26.32 3bmo n ARG 229 CO 0.00 0.00 0.00 -0.98 -1.93 0.00 0.00 177.63 174.72 3bmo s ARG 230 N -6.51 1.19 0.62 5.56 1.70 -1.18 -4.33 118.95 115.99 3bmo s ARG 230 Ca 0.26 -0.53 -0.14 0.00 -0.47 0.00 0.00 55.73 54.86 3bmo s ARG 230 Cb -0.14 0.54 -0.03 0.00 -0.57 0.00 0.00 34.95 34.76 3bmo s ARG 230 CO 0.87 -0.50 1.05 -1.83 -1.08 0.00 0.00 175.30 173.81 3bmo s GLU 231 N -3.66 3.27 0.30 3.89 1.03 -1.26 -4.88 118.70 117.40 3bmo s GLU 231 Ca 0.01 1.05 -0.29 0.00 0.03 0.00 0.00 54.97 55.77 3bmo s GLU 231 Cb 0.00 -2.03 -0.10 0.00 -0.80 0.00 0.00 34.13 31.20 3bmo s GLU 231 CO -0.12 -0.84 1.37 0.00 -1.33 0.00 0.00 175.26 174.35 3bmo s ALA 232 N -2.74 3.55 0.79 -0.84 0.00 -0.17 -4.93 121.76 117.41 3bmo s ALA 232 Ca 0.60 1.31 -0.11 0.00 0.00 0.00 0.00 51.96 53.77 3bmo s ALA 232 Cb -0.14 -3.52 0.07 0.00 0.00 0.00 0.00 23.12 19.52 3bmo s ALA 232 CO 0.44 -0.72 1.10 -1.54 0.00 0.00 0.00 175.76 175.04 3bmo s SER 233 N -0.14 4.34 0.26 0.00 1.04 -1.26 -3.73 113.70 114.21 3bmo s SER 233 Ca 0.53 1.87 -0.03 0.00 0.48 0.00 0.00 55.95 58.80 3bmo s SER 233 Cb -0.41 -2.53 0.33 0.00 0.10 0.00 0.00 66.02 63.51 3bmo s SER 233 CO 0.50 -2.15 1.82 0.00 0.98 0.00 0.00 173.24 174.39 3bmo h ALA 234 N -1.18 1.17 -0.37 5.32 0.00 -1.95 -2.13 119.26 120.12 3bmo h ALA 234 Ca -0.44 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.24 3bmo h ALA 234 Cb 1.24 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 3bmo h ALA 234 CO 0.50 0.58 0.09 1.05 0.00 0.00 0.00 179.25 181.47 3bmo h GLU 235 N 0.93 0.55 -0.69 0.00 4.11 -1.92 -0.69 114.58 116.87 3bmo h GLU 235 Ca 0.21 -0.09 -0.03 0.00 0.07 0.00 0.00 59.36 59.52 3bmo h GLU 235 Cb 0.26 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.38 3bmo h GLU 235 CO -0.01 0.51 0.31 1.96 0.07 0.00 0.00 179.01 181.85 3bmo h GLN 236 N 0.54 1.00 -0.32 1.06 4.20 -1.75 0.15 115.11 119.98 3bmo h GLN 236 Ca 0.13 -0.16 -0.03 0.00 0.06 0.00 0.00 58.65 58.65 3bmo h GLN 236 Cb 0.21 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 27.80 3bmo h GLN 236 CO -0.00 0.81 0.10 0.82 -0.67 0.00 0.00 178.83 179.89 3bmo h ILE 237 N 0.96 1.20 -0.69 2.54 1.08 -1.22 -3.02 117.51 118.37 3bmo h ILE 237 Ca 0.23 -0.65 0.03 0.00 -0.39 0.00 0.00 64.86 64.08 3bmo h ILE 237 Cb 0.15 1.02 -0.04 0.00 -3.07 0.00 0.00 36.82 34.89 3bmo h ILE 237 CO -0.03 0.22 0.45 0.00 -0.69 0.00 0.00 178.15 178.11 3bmo h ALA 238 N 0.94 1.61 -0.96 1.87 0.00 -0.65 -2.02 119.26 120.05 3bmo h ALA 238 Ca 0.10 -0.03 0.08 0.00 0.00 0.00 0.00 54.91 55.06 3bmo h ALA 238 Cb 0.24 -0.23 -0.07 0.00 0.00 0.00 0.00 17.79 17.73 3bmo h ALA 238 CO -0.00 0.32 0.62 -0.44 0.00 0.00 0.00 179.25 179.74 3bmo h ASP 239 N 0.83 0.95 -0.30 0.00 3.32 -0.58 0.02 116.42 120.67 3bmo h ASP 239 Ca 0.27 0.02 -0.17 0.00 0.02 0.00 0.00 57.03 57.17 3bmo h ASP 239 Cb 0.07 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 39.43 3bmo h ASP 239 CO -0.08 0.59 -0.46 0.00 -1.72 0.00 0.00 179.24 177.57 3bmo h ALA 240 N 1.50 0.56 -0.17 3.45 0.00 -1.38 -1.57 119.26 121.65 3bmo h ALA 240 Ca 0.43 -0.48 0.02 0.00 0.00 0.00 0.00 54.91 54.87 3bmo h ALA 240 Cb 0.25 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 3bmo h ALA 240 CO -0.18 0.68 0.06 0.28 0.00 0.00 0.00 179.25 180.09 3bmo h VAL 241 N 0.69 0.96 -0.95 0.00 2.07 -1.15 -2.10 116.25 115.77 3bmo h VAL 241 Ca 0.04 -0.05 0.03 0.00 0.82 0.00 0.00 66.70 67.54 3bmo h VAL 241 Cb 1.05 0.81 -0.06 0.00 -1.52 0.00 0.00 31.29 31.57 3bmo h VAL 241 CO 0.11 0.03 0.62 0.40 0.02 0.00 0.00 177.57 178.74 3bmo h ILE 242 N 0.14 1.16 -0.19 4.57 5.03 -0.93 -1.26 117.51 126.04 3bmo h ILE 242 Ca 0.07 -0.41 0.00 0.00 -0.12 0.00 0.00 64.86 64.41 3bmo h ILE 242 Cb 0.04 -0.14 -0.01 0.00 -3.03 0.00 0.00 36.82 33.68 3bmo h ILE 242 CO -0.08 0.22 0.12 0.15 -0.68 0.00 0.00 178.15 177.88 3bmo h PHE 243 N 1.20 0.22 0.00 1.37 3.57 -1.09 -2.22 116.94 119.99 3bmo h PHE 243 Ca 0.38 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.83 3bmo h PHE 243 Cb -0.00 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 38.66 3bmo h PHE 243 CO -0.01 0.14 -0.27 -0.07 -2.23 0.00 0.00 178.31 175.87 3bmo h LEU 244 N 0.24 0.00 0.00 0.59 3.38 -0.66 -2.05 115.31 116.81 3bmo h LEU 244 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3bmo h LEU 244 Cb -0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.73 3bmo h LEU 244 CO -0.03 0.27 -0.16 -0.37 0.09 0.00 0.00 178.44 178.25 3bmo h VAL 245 N 0.00 0.00 -4.24 1.22 -1.51 -1.15 -3.45 116.25 107.13 3bmo h VAL 245 Ca -0.00 -0.91 -0.47 0.00 -1.23 0.00 0.00 66.70 64.08 3bmo h VAL 245 Cb 0.47 1.83 0.12 0.00 -2.13 0.00 0.00 31.29 31.59 3bmo h VAL 245 CO 0.03 0.00 0.31 -0.94 -1.23 0.00 0.00 177.57 175.74 3bmo s SER 246 N -5.80 3.85 0.34 4.19 1.04 -0.77 -4.95 113.70 111.60 3bmo s SER 246 Ca 0.06 1.12 0.26 0.00 0.48 0.00 0.00 55.95 57.87 3bmo s SER 246 Cb 0.07 -1.77 1.17 0.00 0.10 0.00 0.00 66.02 65.59 3bmo s SER 246 CO 0.68 -2.35 1.78 1.23 0.98 0.00 0.00 173.24 175.55 3bmo h GLY 247 N -1.36 0.00 1.50 7.32 0.00 -1.90 -2.11 103.07 106.51 3bmo h GLY 247 Ca -0.49 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.84 3bmo h GLY 247 CO 0.60 0.00 0.00 1.44 0.00 0.00 0.00 176.54 178.58 3bmo n SER 248 N -2.41 0.00 -0.18 0.19 7.64 -1.26 -3.14 113.62 114.46 3bmo n SER 248 Ca 0.01 -0.13 0.08 0.00 1.01 0.00 0.00 58.87 59.84 3bmo n SER 248 Cb 0.18 -0.25 0.13 0.00 -1.01 0.00 0.00 64.21 63.26 3bmo n SER 248 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3bmo n ALA 249 N -1.25 2.34 0.31 -0.43 0.00 -0.79 -4.87 120.51 115.82 3bmo n ALA 249 Ca 0.12 -2.48 0.20 0.00 0.00 0.00 0.00 53.44 51.27 3bmo n ALA 249 Cb 0.17 -0.40 1.00 0.00 0.00 0.00 0.00 19.45 20.22 3bmo n ALA 249 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 3bmo h GLN 250 N 0.09 0.00 -0.09 0.00 3.07 -1.66 -0.31 115.11 116.21 3bmo h GLN 250 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 3bmo h GLN 250 Cb 1.06 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.62 3bmo h GLN 250 CO 0.00 0.00 0.00 0.98 0.09 0.00 0.00 178.83 179.90 3bmo n TYR 251 N -2.97 0.08 -3.28 0.06 9.36 -1.26 -4.94 117.16 114.22 3bmo n TYR 251 Ca -0.02 -0.05 -0.40 0.00 3.32 0.00 0.00 57.90 60.75 3bmo n TYR 251 Cb 0.13 -0.00 -0.08 0.00 -0.63 0.00 0.00 39.34 38.76 3bmo n TYR 251 CO 0.00 0.00 0.00 0.42 0.22 0.00 0.00 176.86 177.50 3bmo s ILE 252 N -1.63 5.09 -0.12 2.97 1.01 -0.13 -5.04 121.20 123.34 3bmo s ILE 252 Ca 0.26 0.74 -0.12 0.00 0.00 0.00 0.00 60.65 61.53 3bmo s ILE 252 Cb 0.18 -3.81 0.03 0.00 0.01 0.00 0.00 42.46 38.87 3bmo s ILE 252 CO 0.26 0.07 0.33 0.28 0.00 0.00 0.00 174.94 175.88 3bmo s THR 253 N 2.26 0.00 -0.51 2.92 -1.32 -1.26 -4.65 115.64 113.08 3bmo s THR 253 Ca 0.19 -0.01 0.00 0.00 -1.21 0.00 0.00 61.69 60.66 3bmo s THR 253 Cb -0.16 -0.47 0.00 0.00 -1.51 0.00 0.00 72.50 70.36 3bmo s THR 253 CO 0.10 -0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.11 3bmo n GLY 254 N 2.87 0.75 3.83 6.08 0.00 0.13 -4.95 105.19 113.90 3bmo n GLY 254 Ca -0.13 -0.70 -0.36 0.00 0.00 0.00 0.00 46.02 44.83 3bmo n GLY 254 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3bmo s SER 255 N -2.81 6.08 -0.22 1.61 0.01 -1.26 -4.82 113.70 112.29 3bmo s SER 255 Ca 0.00 0.35 0.02 0.00 1.31 0.00 0.00 55.95 57.63 3bmo s SER 255 Cb 0.00 -1.89 0.04 0.00 0.21 0.00 0.00 66.02 64.37 3bmo s SER 255 CO 0.00 0.37 -0.16 -0.63 0.41 0.00 0.00 173.24 173.23 3bmo s ILE 256 N -1.06 2.16 -0.35 1.44 1.01 -1.26 -0.32 121.20 122.82 3bmo s ILE 256 Ca 0.17 -1.23 -0.21 0.00 0.00 0.00 0.00 60.65 59.39 3bmo s ILE 256 Cb -0.12 -2.07 0.00 0.00 0.01 0.00 0.00 42.46 40.29 3bmo s ILE 256 CO 0.07 0.29 0.65 -0.63 0.00 0.00 0.00 174.94 175.31 3bmo s ILE 257 N 1.22 4.88 0.23 2.92 1.01 -0.08 -4.91 121.20 126.47 3bmo s ILE 257 Ca -0.01 0.61 -0.30 0.00 0.00 0.00 0.00 60.65 60.96 3bmo s ILE 257 Cb -0.16 -4.08 -0.09 0.00 0.01 0.00 0.00 42.46 38.14 3bmo s ILE 257 CO -0.09 -0.32 1.20 -0.54 0.00 0.00 0.00 174.94 175.19 3bmo s LYS 258 N 2.73 4.50 -0.54 2.79 1.02 -1.26 -0.74 119.74 128.24 3bmo s LYS 258 Ca 0.25 1.92 0.06 0.00 0.02 0.00 0.00 55.97 58.22 3bmo s LYS 258 Cb -0.14 -3.20 0.20 0.00 -0.52 0.00 0.00 37.83 34.17 3bmo s LYS 258 CO 0.15 -0.04 0.51 0.28 -0.92 0.00 0.00 175.35 175.33 3bmo n VAL 259 N 1.94 0.44 -0.56 3.17 0.31 -0.38 -4.88 118.33 118.36 3bmo n VAL 259 Ca 0.02 -4.33 0.00 0.00 -0.01 0.00 0.00 64.34 60.02 3bmo n VAL 259 Cb 0.44 -1.96 0.00 0.00 -0.91 0.00 0.00 33.84 31.41 3bmo n VAL 259 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 3bmo n ASP 260 N 1.85 0.76 -1.59 4.52 5.75 -1.26 -2.97 116.55 123.61 3bmo n ASP 260 Ca 0.25 -1.33 -0.21 0.00 -0.01 0.00 0.00 54.79 53.50 3bmo n ASP 260 Cb 0.44 0.00 -0.09 0.00 -1.03 0.00 0.00 41.12 40.44 3bmo n ASP 260 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3bmo n GLY 261 N -0.16 1.92 1.94 6.12 0.00 -1.26 -1.33 105.19 112.41 3bmo n GLY 261 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.00 3bmo n GLY 261 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3bmo n GLY 262 N -0.45 0.74 0.31 -0.02 0.00 -1.26 -1.27 105.19 103.24 3bmo n GLY 262 Ca -0.21 0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.86 3bmo n GLY 262 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3bmo h LEU 263 N 0.00 0.65 -0.40 0.99 5.85 -1.52 -1.13 115.31 119.75 3bmo h LEU 263 Ca 0.00 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.78 3bmo h LEU 263 Cb 0.00 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 40.97 3bmo h LEU 263 CO 0.00 0.35 0.00 -1.54 -0.34 0.00 0.00 178.44 176.91 3bmo n SER 264 N -4.77 0.42 0.01 1.25 3.41 -1.26 -1.87 113.62 110.81 3bmo n SER 264 Ca 0.15 0.60 0.13 0.00 -0.26 0.00 0.00 58.87 59.49 3bmo n SER 264 Cb 0.33 -0.69 0.48 0.00 -0.26 0.00 0.00 64.21 64.06 3bmo n SER 264 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3bmo n LEU 265 N -1.96 0.22 -4.61 1.04 4.77 -0.43 -4.86 117.00 111.17 3bmo n LEU 265 Ca 0.03 0.34 -0.41 0.00 -0.03 0.00 0.00 56.01 55.93 3bmo n LEU 265 Cb 0.22 -0.40 -0.06 0.00 -2.33 0.00 0.00 43.42 40.86 3bmo n LEU 265 CO 0.18 0.03 0.50 -0.69 -1.33 0.00 0.00 177.39 176.08 3bmo s VAL 266 N -3.01 4.87 0.86 4.08 1.01 -0.78 -5.05 120.40 122.38 3bmo s VAL 266 Ca 0.13 1.07 -0.11 0.00 0.00 0.00 0.00 61.98 63.07 3bmo s VAL 266 Cb 0.18 -4.07 0.11 0.00 0.00 0.00 0.00 36.38 32.60 3bmo s VAL 266 CO 0.59 -0.17 1.09 -1.38 0.00 0.00 0.00 175.10 175.23 3bmo s HIS 267 N 2.78 2.37 -1.89 5.22 -3.43 -1.26 -5.09 115.29 113.98 3bmo s HIS 267 Ca 0.29 1.34 0.00 0.00 -0.80 0.00 0.00 55.06 55.90 3bmo s HIS 267 Cb -0.15 -3.13 0.00 0.00 -1.43 0.00 0.00 32.58 27.87 3bmo s HIS 267 CO 0.12 -2.25 0.47 0.00 -2.00 0.00 0.00 174.74 171.08